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- ZINC15 supports the following formats, as part of its general URL syntax:472 bytes (58 words) - 20:56, 4 March 2015
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- Why? Formats. Give common example Why? Formats. Give common example567 bytes (74 words) - 18:55, 28 September 2015
- * input is the input molecule, in any of the <fmt> formats below * fmt is one of the following formats1 KB (156 words) - 04:19, 1 October 2015
- [[Category:Formats]]136 bytes (18 words) - 00:50, 11 March 2014
- [[Category:Formats]]225 bytes (30 words) - 16:25, 11 March 2014
- Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv275 bytes (40 words) - 05:29, 9 August 2022
- == Library enumeration in Iridium-compatible formats == Use of classical enumeration scripts adapted to output iridium-compatible formats2 KB (276 words) - 17:44, 2 August 2023
- ZINC15 supports the following formats, as part of its general URL syntax:472 bytes (58 words) - 20:56, 4 March 2015
- = Reports, Formats, Filters = == Complete list of supported page/report formats ==3 KB (433 words) - 21:34, 28 December 2018
- [[Category:Formats]]448 bytes (73 words) - 15:13, 25 March 2014
- [[Category:Formats]]460 bytes (74 words) - 18:15, 2 May 2024
- convsyb - convert mol2 to various pdb formats (DOCK3.5?)464 bytes (78 words) - 20:24, 8 October 2012
- [[Category:Formats]]460 bytes (67 words) - 20:31, 8 October 2012
- = Molecular formats = Molecules are available in four formats: isomeric SMILES, mol2, SDF2 KB (231 words) - 22:04, 4 January 2019
- [[Category:Formats]]735 bytes (65 words) - 18:10, 8 October 2012
- [[Category:Formats]]605 bytes (101 words) - 18:10, 8 October 2012
- [[Category:Formats]]1 KB (101 words) - 18:10, 8 October 2012
- [[Category:Formats]]1 KB (103 words) - 05:13, 13 March 2014
- Upload Wizard is current supporting catalog formats: ''''Excel file formats are not yet supported, but they can be conn4 KB (639 words) - 18:01, 28 October 2019
- * more report formats in results report1 KB (201 words) - 01:01, 5 January 2019
- ...rrently) include table or tile. The default is always tile. Valid [[ZINC15:Formats]] are explained in the wiki. Valid <OUTPUT_FIELD>s depend on the specific r ...supported formats, such as smi, sdf, csv, fully described here: [[ZINC15:Formats]]. If a format is omitted, a webpage is implicitly requested.8 KB (1,085 words) - 01:01, 5 January 2019
- [[Category:Formats]]2 KB (281 words) - 00:18, 11 March 2014
- ...w the link for more information) and is stored in the input file (see file formats). The cost of desolvating each atom, or the normalization factor, is the di2 KB (274 words) - 04:25, 14 February 2014
- [[Category:Formats]]2 KB (347 words) - 23:21, 4 January 2019
- ...unds that can simply be purchased'''. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available == Formats ==11 KB (1,604 words) - 23:52, 10 January 2019
- ...mpounds that can simply be purchased. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available = Formats =8 KB (1,258 words) - 23:54, 4 January 2019
- ...[[DOCK Blaster:scrutinizer]]. Many of these owe to the nature of the file formats we accept (PDB, mol2) and the complexity of protein binding sites. We know2 KB (392 words) - 20:02, 8 October 2012
- ...The new look and feel supports authentication, more flexibility in report formats, a shopping cart metaphor, and many other new features. Please see our [ht2 KB (375 words) - 23:15, 4 January 2019
- force field score. Input formats (some of them new in version 3.5) are are read in along with the coordinates; input formats are described6 KB (893 words) - 15:26, 5 April 2016
- of ZINC in both the formats SMILES and MOL2. For both the databases I3 KB (462 words) - 05:35, 22 February 2017
- ...2 format. You may use <code>convert.py</code> to convert between different formats. Please be cautious when using <code>file2file.py</code>.4 KB (705 words) - 03:22, 14 February 2014
- ...your data to the DOCK Blaster server. For more information about the data formats, please see [[DOCK Blaster:Prepare Input | Prepare Input]].4 KB (686 words) - 20:02, 8 October 2012
- .... In DOCK, ligand parameters are read in along with the coordinates; input formats are described below. Currently, the options are: contact scoring only, cont11 KB (1,545 words) - 17:01, 27 January 2021
- ...tal ligand, actives (isomeric SMILES, mol2 and SDF) and decoys (same three formats) The file formats are as follows:12 KB (1,955 words) - 20:35, 4 January 2019
- ...ics as SMILES or with properties in text format) and 3D (ready for docking formats). Switch between 2D and 3D views using the 2D/3D button (top left).6 KB (1,016 words) - 00:23, 2 October 2015
- [[Category:Formats]]7 KB (1,153 words) - 21:38, 19 April 2016
- [[Category:Formats]]7 KB (1,168 words) - 00:48, 11 March 2014
- [[Category:Formats]]7 KB (1,289 words) - 15:44, 23 October 2014
- ...format (likewise for .sdf, .mol2, .json, .xml, .txt, .xls, .csv and .tsv formats.)18 KB (2,725 words) - 21:41, 29 October 2019
- ...output from each job. The tarballs should contain a number of 3d molecule formats for each molecule in the batch, including 1 or more db2.gz files.10 KB (1,616 words) - 18:11, 9 March 2023
- [[Category:Formats]]16 KB (2,235 words) - 17:59, 21 October 2012