Cactvs Toolkit Structure and Reaction I/O Module Summary

ShortName ShortNameAliases FullName Description DefaultSuffixes CapabilityFlags ModuleFunctions MimeType Module
441 441 441 Toyohashi university 441 modelling software file 441, 2D canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-441 filex_441.so
aa1 aa1 aa AA1 Text file with 1-letter amino acid sequences aa1, aa stringoutput, canstoreensemble skip, read, write, detect chemical/x-aa1 filex_aa.so
aa3 aa3 AA3 Text file with 3-letter amino acid sequences aa3 stringoutput, canstoreensemble skip, read, write, detect chemical/x-aa3 filex_aa3.so
alchemy alchemy alc Alchemy ALCHEMY mol file alc need3d, canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemistry/x-alchemy filex_alchemy.so
asn asn asn1 ber asnb asnbinary PubChem ASN/Binary PubChem binary ASN.1 PCSubstance/PCCompound file asn, asn1, ber, asnb binary, stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-ncbi-asn1-binary filex_asn1.so
asnt asnt asntext PubChem ASN/Text PubChem ASCII-encoded ASN.1 PCSubstance/PCCompound file asnt stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-ncbi-asn1 filex_asnt.so
bdb bdb BDB CACTVS BDB-based, query-optimized structure and reaction database file bdb, cdb nommap, canstore3d, canstorereaction, binary, fullindex, kekule, nosequence, dynamicindex, keepindex, keepopenondelete, canstoreensemble, noemptyinput skip, read, write, detect, close, init, module, delete, update, setfields, position, find, prepare chemical/x-bdb filex_bdb.so
bxml bxml beilsteinxml Beilstein XML Beilstein XML File (incomplete implementation) bxml canstoreensemble skip, read, write, detect, close, init chemical/x-beilstein filex_bxml.so
car car biosyma bsa biosym CAR CAR Biosym format car, bsa, bio need3d, canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-car filex_car.so
cas cas CAS Text file with ACS CAS numbers, dynamically resolved on input cas stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-acs-cas filex_cas.so
cbin cbin cactvs/bin binary cactvs/binary Cactvs/Binary CACTVS native binary format, the recommended format for lossless storage of structure, reaction or dataset data cbin, bin nommap, canstore3d, canstorereaction, binary, kekule, canstoredataset, stringoutput, canstoretables, canstoreensemble skip, read, write, detect chemical/x-cactvs-binary (builtin)
cbs cbs cbase cscan cquery cactvs/base cactvs/scan cactvs/query Cactvs/Queryfile CACTVS query-optimized file for structures and reactions cbase, cbs, cscan nommap, canstore3d, canstorereaction, binary, writelock, fullindex, kekule, nosequence, dynamicindex, togglebyreopen, canstoreensemble skip, read, write, detect, close, init, reorganize, delete, update, setfields, position, find, setstatus chemical/x-cactvs-scan (builtin)
cda cda sqlite db CDA CDA dataset archive db, sqlite, cda nommap, canstorereaction, binary, fullindex, nostream, canstoredataset, nosequence, dynamicindex, keepindex, keepopenondelete, noeofcheck, canstoreensemble, defaultscope_ens, noemptyinput skip, read, write, detect, close, init, position chemical/x-cactvs-dataset-archive filex_cda.so
cdx cdx chemdraw CDX CambridgeSoft ChemDraw binary CDX file cdx nommap, canstorereaction, binary, singlerecord, fullindex, togglebyreopen, stringoutput, noeofcheck, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init chemical/x-cdx filex_cdx.so
cdxml cdxml CDXML CambridgeSoft ChemDraw CDXML text file cdxml nommap, canstorereaction, singlerecord, fullindex, togglebyreopen, stringoutput, noeofcheck, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init chemical/x-cdxml filex_cdxml.so
cerius cerius Cerius Cerius II file format msi, cer need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-cerius filex_cerius.so
chai chai Chai Data exchange format of the Discovery Innovation CHAI software chai, xml canstoredataset, stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-chai filex_chai.so
charmm charmm charm chm card crd CHARMM CHARMM modelling software CARD file crd, card, chm nocharge, need3d, canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-charmm filex_card.so
chembl chembl ChEMBL ChEMBL XML Output chembl singlerecord, canstoreensemble skip, read, write, detect application/xml filex_chembl.so
chemwin chemwin chemwindow cw2 cw CHEMWIN ChemWindow CW2 file format cw2 nommap, binary, singlerecord skip, detect chemical/x-chemwindow-cw2 filex_chemwin.so
chiron chiron cif Chiron Cif Structure file of the CHIRON synthesis planning software cif canstoreensemble skip, read, write, detect chemical/x-chiron-cif filex_chiron.so
cid cid CID Text file with PubChem CID identifiers, dynamically resolved on input cid stringoutput, canstoreensemble, supportsinputcache skip, read, write, detect, close, init chemical/x-pubchem-cid filex_cid.so
cif cif Crystallographic CIF Crystallographic Information File cif stringoutput, canstoreensemble skip, read, write, detect chemical/x-crystallographic-cif filex_cif.so
cmf cmf chime cmol CMF MDL Chime compressed molfile (unencrypted variant) cmf, cmol, chime firstblank, canstore3d, canfixdoublespace, stringoutput, canstoreensemble skip, read, write, detect chemical/x-chime-compressed-molfile filex_cmf.so
cml cml CML CML (Chemical Markup Language) format xml, cml canstore3d, canstorereaction, markprops, cansplitens, stringoutput, canstoreensemble, defaultscope_auto skip, read, write, detect, close, init chemical/x-cml filex_cml.so
compass compass Compass Toyohashi university COMPASS modelling software file cpa, com firstblank, need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-compass filex_compass.so
cosmo cosmo cos COSMO File format of the COSMO software cosmo, cos nocharge, singlerecord skip, read, detect chemical/x-cosmo filex_cosmo.so
cpacked cpacked cpc serialized Cactvs/Serialized Packed CACTVS serialized objects cpc canstore3d, kekule, stringoutput, canstoreensemble skip, read, write, detect chemical/x-cactvs-packed filex_cpc.so
ctx ctx CTX CTX file format (EROS, CORINA and other Gasteiger group applications) ctx canstore3d, canstorereaction, kekule, canstoreensemble skip, read, write, detect chemical/x-ctx filex_ctx.so
dropbox dropbox Dropbox file Meta file wrapper for direct access to structure and reaction files stored in a DropBox account nommap, canstorereaction, binary, togglebyreopen, canstoreensemble, defaultscope_auto, storewithoutfp, iswrapper skip, write, close, init, module, magicname application/dropbox filex_dropbox.so
emf emf emfimage EMF Image Microsoft Windows EMF rendering, potentially with embedded structure data emf, wmf nommap, canstorereaction, binary, singlerecord, stringoutput, canstoreensemble, defaultscope_auto, hydrogenfilter skip, read, write, detect image/x-emf filex_emf.so
emolecules emolecules emol EMolecules Text file with EMOLECULES IDs, dynamically resolved on input emolecules, emol stringoutput, canstoreensemble skip, read, write, detect chemical/x-emolecules filex_emol.so
fps fps fps Dalke fingerprint exchange format fps stringoutput skip, read, write, detect chemical/x-dalke-fps filex_fps.so
gausscube gausscube gaussiancube cube cub Gaussian/Cube GAUSSIAN software Cube file cub nocharge, singlerecord skip, read, write, detect chemical/x-gaussian-cube filex_gausscube.so
gaussian/archive gaussian/archive gaussarc garc arc Gaussian/Archive GAUSSIAN software archive file garc, arc need3d, canstore3d skip, read, detect chemical/x-gaussian-archive filex_gaussarc.so
gaussian/output gaussian/output gaussout gaussianout gout out Gaussian/Output GAUSSSIAN software output file out, gout nocharge, need3d skip, read, detect chemical/x-gaussian-output filex_gout.so
gif gif bmp GIF Image GIF image file, potentially with embededded structure data gif, bmp nommap, canstorereaction, binary, singlerecord, stringoutput, noeofcheck, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init image/gif filex_gif.so
gjf gjf gaussin gaussianinput gaussian/input gau gaussian gauss gin Gaussian/Input Input file for the GAUSSIAN software gin, gau, gjf need3d, canstore3d, stringoutput, canstoreensemble, canstorenullrecord skip, read, write, detect chemical/x-gaussian-input filex_gaussin.so
gpr gpr ghemical Ghemical File format of the Ghemical program gpr nocharge, need3d, singlerecord, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect application/x-ghemical filex_ghemical.so
gromacs gromacs gro GROMACS File format of the GROMACS program gro nocharge, need3d, singlerecord, canstoreensemble skip, read, write, detect chemical/x-gromacs filex_gromacs.so
histlist histlist cactvs/hitlist Hitlist Hitlist file storing a matched structure or reaction subset of another file hit stringoutput, canstoreensemble, isreference skip, read, write, detect chemical/x-cactvs-hitlist (builtin)
hyperchem hyperchem hin Hyperchem File format of the Hyperchem software hin need3d, canstore3d, singlerecord, cansplitens, canstoreensemble skip, read, write, detect chemical/x-hyperchem filex_hin.so
iff iff vega riff IFF File format of the VEGA modelling system iff nommap, canstore3d, binary, singlerecord, stringoutput, canstoreensemble skip, read, write, detect chemical/x-iff filex_riff.so
inchi inchi ichi inc ich InChI IUPAC InChI file format ich, inchi, inc stringoutput, canstoreensemble skip, read, write, detect chemical/x-inchi filex_inchi.so
index index idx cactvs/index Index Index file storing record identifiers referencing another file idx nommap, canstorereaction, togglebyreopen, stringoutput, canstoreensemble, isreference write, detect application/x-index (builtin)
jcamp jcamp jcp jca jcm jdx jcamp-dx jcamp-cs JCAMP JCAMP spectroscopy data exchange format jcp, jca, dx, jdx, cs canstore3d skip, read, write, detect chemical/x-jcamp-dx filex_dx.so
jme jme JME JME strings text file, as used by the JME/JSME structure editor jme nocharge, canstorereaction, stringoutput, canstoreensemble skip, read, write, detect chemical/x-jme filex_jme.so
jpg jpg jpeg jpgimage JPG Image JPG structure rendering, potentiallly with embedded structure data jpg, jpeg nommap, binary, singlerecord, canstoreensemble skip, read, detect, close, init image/jpg filex_jpg.so
kcf kcf kegg KCF Native KEGG database structure file kcf singlerecord, stringoutput, canstoreensemble skip, read, write, detect chemical/x-kcf filex_kcf.so
keggrp keggrp kegg-rp rp KEGGRP KEGG reaction pair format rp canstorereaction, singlerecord, defaultscope_reaction skip, read, detect chemical/x-kegg-rp filex_rp.so
knime knime table KNIME KNIME native binary table interpreted as structure or reaction file table, knime nommap, canstore3d, canstorereaction, binary, fullindex, kekule, nostream, nosequence, dynamicindex, togglebyreopen, canstoreensemble, defaultscope_auto skip, read, write, detect, close, init application/x-knime filex_knime.so
lincs lincs lsm LINCS Text file with LINCS IDs, dynamically resolved on input lincs, lsm stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-lincs filex_lincs.so
m3d m3d molecules marts M3D Molecules 3D Molecular Arts/molecules.com file m3d, frg nocharge, need3d, canstore3d, singlerecord, cansplitens, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-molecules-3d filex_m3d.so
maestro maestro mae Maestro Schroedinger MAESTRO file mae canstoreensemble skip, read, write, detect chemical/x-schrodinger-maestro filex_mae.so
mailbox mailbox Mailbox Wrapper for mailbox files containing structure or reaction attachments mbx, mail nosequence, canstoreensemble, iswrapper skip, read, write, detect application/mailbox (builtin)
mmd mmd mmod macromodel MMD File format of the Macromodel program mmd, mmod need3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-macromodel-input filex_mmd.so
molconnz molconnz mcz b Molconn-Z Molconn-Z file b, mcz nocharge, canstoreensemble skip, read, write, detect, close chemical/x-molconn-z filex_b.so
molfile molfile mdl mol sdf sdf2000 v2000 sdf2k v2k sdf2 MDL SD-File Plain MDL Molfile and derivatives (SD-File) mdl, mol, sdf, sd firstblank, canstore3d, canfixdoublespace, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-mdl-sdf (builtin)
molgen molgen bayreuth Molgen Native format of the MOLGEN structure generator gen, mg stringoutput, nocoordinates, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-molgen filex_molgen.so
mopacin mopacin mopacinput in dat data mop Mopac/Input Input file for the MOPAC software mop, in, data, dat need3d, canstore3d, singlerecord, stringoutput, canstoreensemble skip, read, write, detect chemical/x-mopac-input filex_dat.so
mopacout mopacout mopacoutput oo Mopac/Output Output format of the MOPAC software out, 012 need3d, canstore3d, singlerecord skip, read, detect chemical/x-mopac-output filex_oo.so
mrv mrv marvin MRV ChemAxon MRV (Marvin Documents) format mrv canstore3d, canstorereaction, markprops, cansplitens, stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-marvin-document filex_mrv.so
mxyz mxyz MXYZ MXYZ format mxyz need3d, canstore3d, canstoreensemble skip, detect chemical/x-mxyz filex_mxyz.so
mysql mysql Mysql MYSQL databases table as virtual structure file, accessed via url like mysql://user:pw@host/db/table MYD, MYI nommap, canstore3d, fullindex, nosequence, dynamicindex, keepindex, noeofcheck, canstoreensemble, storewithoutfp skip, read, write, close, init, setfields, magicname chemical/x-db-mysql filex_mysql.so
netcdf netcdf nc znetcdf cdf netCDF netCDF file with structure or spectra data cdf, nc nommap, binary, singlerecord, nostream, canstoreensemble skip, read, detect, close, init chemical/x-netcdf filex_nc.so
ole ole ole2 msole msole2 xls excel msexcel doc word msword bin OLE MS Windows OLE2 file with embedded structure or reaction data ole, ole2, doc, xls, bin nommap, canstorereaction, binary, singlerecord, fullindex, togglebyreopen, stringoutput, noeofcheck, canstoreensemble, defaultscope_auto, iswrapper skip, read, write, detect, close, init application/oleobject filex_bin.so
pcd pcd pcdump PCDump PubChem Minimol dump file pcd multifile, binary, nostream, noeofcheck, canstoreensemble skip, read, write, detect, close, init chemical/x-pubchem-dump filex_pcdump.so
pdb pdb ipdb ent PDB Protein Data Bank file pdb, ipdb, ent nocharge, need3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-pdb filex_pdb.so
pdbcode pdbcode pdbc pdbentry pdbe PDBCODE Text file with PDB codes, read with dynamic structure expansion from PDB database pdbcode, pdbc, pdbentry, pdbe nocharge, need3d skip, read, detect, close chemical/x-pdbentry filex_pdbentry.so
pdbml pdbml pdbxml PDBML Protein Data Bank XML format pdbml, pdbxml nocharge, need3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-pdbml filex_pdbml.so
pdbqt pdbqt autodock PDBQT File format of the AutoDock program pdbqt singlerecord, stringoutput, canstoreensemble skip, read, write, detect chemical/x-autodock filex_pdbqt.so
pdf pdf PDF Image PDF file with embedded structure data pdf nommap, canstorereaction, binary, singlerecord, stringoutput, noeofcheck, canstoreensemble skip, read, write, detect, close, init application/pdf filex_pdf.so
phar phar pharao Pharao File format of the Silicos PHARAO software phar stringoutput, canstoreensemble skip, read, write, detect chemical/x-silicos-pharao filex_phar.so
pic pic pct pict PICT Image Structure rendering in Apple QuickDraw PIC format, potentially with embedded structure data pic, pct, pict nommap, binary, singlerecord, canstoreensemble skip, write, detect image/pict filex_pict.so
png png pngimage PNG Image PNG image file, potentially with embededded structure data png nommap, canstorereaction, binary, singlerecord, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init image/png filex_png.so
postscript postscript ps Postscript Image Structure rendering in Adobe PostScript format, potentially with embedded structure data ps canstoreensemble skip, write, detect, close, init application/postscript filex_ps.so
pubchem pubchem pcvirtual PubChem PubChem virtual file I/O module fullindex, nosequence, suppressmtqueries, directfilequerysupport skip, read, close, init, find, magicname, scan chemical/x-pubchem filex_pubchem.so
rdf rdf MDL RDF MDL reaction data file rdf firstblank, canstore3d, canstorereaction, defaultscope_reaction, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-mdl-rdf (builtin)
rinchi rinchi xinchi reactioninchi rinc rich RInChI Text file with RInChI reaction line notation strings rinchi, rinc, rich canstorereaction, stringoutput skip, read, write, detect chemical/x-rinchi filex_reactioninchi.so
rosdal rosdal ROSDAL Beilstein ROSDAL format, incomplete implementation ros stringoutput, canstoreensemble skip, write, detect chemical/x-rosdal filex_rosdal.so
rtf rtf RTF MS Word file with embedded structures rtf nommap, canstorereaction, binary, fullindex, nosequence, stringoutput, noeofcheck, canstoreensemble, defaultscope_auto, hydrogenfilter skip, read, write, detect, close, init text/rtf filex_rtf.so
rxn rxn rxn2000 rxn2k rxn2 MDL RXN MDL reaction file rxn firstblank, canstore3d, canstorereaction, defaultscope_reaction, stringoutput, hydrogenfilter skip, read, write, detect chemical/x-mdl-rxnfile (builtin)
rxn3000 rxn3000 rxn3k rxn3 RXN3000 V3000 MDL/Symyx reaction file format rxn3, rxn3000, rxn3k canstore3d, canstorereaction, singlerecord, defaultscope_reaction, stringoutput, hydrogenfilter skip, read, write, detect chemical/x-mdl-rxn3000 filex_rxn3000.so
scf scf SCF SCF file scf nommap, singlerecord, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-scf filex_scf.so
sddata sddata sdd SD-Data SD pure data file (no CTAB block) sdd canstoreensemble skip, read, write, detect chemical/x-sd-pure-data filex_sddata.so
sdf3000 sdf3000 sdf3 v3000 sdf3k v3k mol3 mol3k mol3000 SDF3000 V3000 MDL/Symyx structure data file sdf3, sdf3k, sdf3000, mol3, mol3k, mol3000 firstblank, canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-mdlv3000-sdf filex_sdf3000.so
sharc sharc shigo Sharc Sharc/Shigo NMR shift archive format sharc, shigo, shc, shg need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-sharc filex_sharc.so
shelx shelx res SHELX SHELX file res need3d, canstore3d, singlerecord skip, read, detect chemical/x-shelx filex_shelx.so
sid sid SID Text file with PubChem SID identifiers, dynamically resolved on input sid stringoutput, canstoreensemble, supportsinputcache skip, read, write, detect, close, init chemical/x-pubchem-sid filex_sid.so
sk2 sk2 chemsketch acd SK2 ACD/Labs SK2 file sk2 nommap, canstorereaction, binary, fullindex, noeofcheck, canstoreensemble skip, read, detect, close chemical/x-sk2 filex_sk2.so
skc skc isis symyx isisdraw symyxdraw SKC MDL/Symyx Isis sketch file skc nommap, canstorereaction, binary, singlerecord, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init chemical/x-mdl-isis filex_skc.so
sln sln hits SLN Standard Sybyl line notation file sln, hits checkstereo, checkwedges, stringoutput, canstoreensemble skip, read, write, detect chemical/x-sybyl-linenotation filex_hits.so
sln+ sln+ slnplus SLN+ Sybyl line notation file with custom extensions sln+ checkstereo, checkwedges, stringoutput, canstoreensemble skip, read, write, detect chemical/x-custom-sybyl-linenotation filex_slnplus.so
smarts smarts sma smt SMARTS Daylight SMARTS file sma, smt stringoutput, nocoordinates, canstoreensemble skip, read, write, detect chemical/x-daylight-smarts filex_smarts.so
smd4 smd4 SMD4 SMD (Standard Molecular Data) V4.3 file smd, smd4 canstore3d, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-smd filex_smd4.so
smd5 smd5 SMD5 SMD (Standard Molecular Data) file format, version 5.0+, incomplete implementation smd5 canstoreensemble skip, read, write, detect chemical/x-smd5 filex_smd5.so
smiles smiles smi rxnsmiles reactionsmiles SMILES SMILES/SMARTS structure or reaction codes smi canstorereaction, stringoutput, nocoordinates, canstoreensemble skip, read, write, detect, init chemical/x-daylight-smiles (builtin)
smirks smirks sks SMIRKS Daylight SMIRKS file smirks, sks stringoutput, nocoordinates, canstoreensemble skip, read, write, detect chemical/x-daylight-smirks filex_sks.so
spc spc udf SPC Galactic UDF/SPC spectra file spc, udf, cgm nommap, binary, singlerecord, canstoreensemble skip, read, detect, init chemical/x-spc filex_spc.so
spl spl fda SPL FDA data submission format spl, fda, xml canstoredataset, canstoreensemble, defaultscope_ens skip, read, detect, close, init chemical/x-fda-spl filex_fda.so
sql sql SQL table load instructions SQL table loader file sql canstorereaction, stringoutput, canstoreensemble, hydrogenfilter write, close, init, setfields application/x-sql filex_sql.so
stdinchi stdinchi stdichi stdinc stdich StdInChI Standard InChI file format stdich, stdinchi, stdinc stringoutput, canstoreensemble skip, read, write, detect chemical/x-inchi filex_stdinchi.so
stf stf STF STF grid volume file stf nocharge, canstoreensemble skip, read, write, detect chemical/x-stf filex_stf.so
svg svg SVG Image Structure rendering in SVG format, potentially with embedded structure information svg nommap, singlerecord, stringoutput, canstoreensemble skip, read, write, detect image/svg+xml filex_svg.so
swf swf flash fla swfimage SWF Image Adobe Flash file with embedded structure data swf, fla canstorereaction, binary, singlerecord, stringoutput, canstoreensemble skip, read, write, detect application/x-shockwave-flash filex_swf.so
sybyl sybyl SYBYL SYBYL mol file (Sybyl mol1) syb, mol need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-sybyl-molfile filex_sybyl.so
sybyl2 sybyl2 mol2 Sybyl2 Molfile SYBYL mol file (Sybyl mol2) syb2, mol2, sy2, ml2, sm2 need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-sybyl2-molfile filex_sybyl2.so
tab tab tsv csv txt table Table Separator-controlled text table with a SMILES column as structure souce tab, csv, tsv, txt stringoutput, canstoreensemble, defaultscope_auto skip, read, write, detect chemical/x-table filex_tsv.so
tar tar tgz TAR TAR meta file module, for accessing files within tar archives without unpacking tar, tgz nommap, canstorereaction, binary, togglebyreopen, noeofcheck, canstoreensemble, defaultscope_auto, iswrapper write, detect, close, init application/tar filex_tgz.so
tdt tdt stg stigmata thor STIGMATA Daylight Stigmata/Thor data tree file stg, tdt canstoreensemble skip, read, write, detect chemical/x-daylight-thor filex_stigmata.so
tex tex latex chemfig TEX Image TEX/LaTEX structure rendering tex, chemfig canstorereaction, stringoutput, canstoreensemble, hydrogenfilter write application/x-tex filex_tex.so
tgf tgf TGF MDL/Symyx Isis sketch file, text variant tgf canstorereaction, singlerecord, stringoutput, canstoreensemble, hydrogenfilter skip, read, write, detect, close, init chemical/x-mdl-tgf filex_tgf.so
tiff tiff tif TIFF TIFF image file, potentially with embededded structure data tiff, tif nommap, binary, singlerecord, canstoreensemble skip, read, detect, close, init image/tiff filex_tif.so
tinker tinker Tinker Tinker modelling software data file xyz, arc nocharge, need3d, canstoreensemble skip, read, write, detect chemical/x-tinker filex_tinker.so
unii unii UNII Text file with FDA UNII identifiers, dynamically resolved on input unii stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-fda-unii filex_unii.so
usmiles usmiles uniquesmiles USMILES Unique Smiles usmi, usm canstorereaction, stringoutput, nocoordinates, canstoreensemble skip, read, write, init chemical/x-daylight-unique-smiles filex_usmiles.so
vamp vamp vmp VAMP VAMP QM software output file vmp nocharge, need3d, canstore3d, singlerecord skip, read, detect chemical/x-vamp filex_vmp.so
vrml vrml wrl VRML Model VRML 3D structure model file wrl, vrml nommap, need3d, canstore3d, singlerecord, stringoutput, canstoreensemble skip, read, write, detect model/vrml filex_wrl.so
wln wln WLN Wiswesser line data (framework, not a useful implementation) wln stringoutput, canstoreensemble skip, write, detect chemical/x-wln filex_wln.so
wmf wmf wmfimage WMF Image Microsoft Windows WMF rendering, potentially with embedded structure data emf, wmf nommap, canstorereaction, binary, singlerecord, stringoutput, canstoreensemble, defaultscope_auto, hydrogenfilter skip, read, write, detect image/x-wmf filex_wmf.so
xbsa xbsa bs XBSA XBSA file bs, xbsa need3d, canstore3d, multifile, singlerecord, canstoreensemble skip, read, write, detect chemical/x-xbsa filex_bs.so
xdf xdf xdfile xd xml XDF MDL/Symyx XDF format xdf, xml, xd, xdfile canstore3d, canstorereaction, canstoredataset, stringoutput, canstoreensemble skip, read, write, detect, close, init chemical/x-mdl-xdf filex_xdf.so
xfig xfig fig XFIG XFIG render file fig, xfig nocharge, singlerecord, canstoreensemble skip, write, detect application/xfig filex_xfig.so
xtel xtel xtelplot XtelPlot File format of the Xtelplot software xtel, xte need3d, canstore3d, canstoreensemble skip, read, write, detect chemical/x-xtel filex_xtel.so
xyz xyz XYZ File format of the Xmol program xyz nocharge, need3d, singlerecord, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-xyz filex_xyz.so
xyzr xyzr XYZR XYZR file, as used by the msms program (XYZ with extra atom radii column) xyzr nocharge, need3d, canstore3d, singlerecord, canstoreensemble, hydrogenfilter skip, read, write, detect chemical/x-xyzr filex_xyzr.so
zip zip docx Zip ZIP meta file handler module, for accessing files in ZIP archives without unpacking zip, docx nommap, canstorereaction, binary, nosequence, stringoutput, canstoreensemble, defaultscope_auto, iswrapper skip, read, write, detect, close, init application/zip filex_docx.so

Generated Sat Nov 10 09:48:31 CET 2018 for toolkit version 3.4.7.1