Search results

Jump to navigation Jump to search

  • Mol2
    [[Category:Formats]]
    2 KB (281 words) - 00:18, 11 March 2014
  • Solvmap
    ...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 di
    2 KB (274 words) - 04:25, 14 February 2014
  • Mol2db
    [[Category:Formats]]
    2 KB (347 words) - 23:21, 4 January 2019
  • ZINC
    ...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
  • ZINC12
    ...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:Problems
    ...[[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 know
    2 KB (392 words) - 20:02, 8 October 2012
  • ZINC12:Release notes
    ...The new look and feel supports authentication, more flexibility in report formats, a shopping cart metaphor, and many other new features. Please see our [ht
    2 KB (375 words) - 23:15, 4 January 2019
  • History of DOCK 6
    force field score. Input formats (some of them new in version 3.5) are are read in along with the coordinates; input formats are described
    6 KB (893 words) - 15:26, 5 April 2016
  • ZINC:Errata
    of ZINC in both the formats SMILES and MOL2. For both the databases I
    3 KB (462 words) - 05:35, 22 February 2017
  • Eplop
    ...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
  • DOCK Blaster:Progress Bar
    ...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
  • DOCK:History
    .... In DOCK, ligand parameters are read in along with the coordinates; input formats are described below. Currently, the options are: contact scoring only, cont
    11 KB (1,545 words) - 17:01, 27 January 2021
  • DUDE
    ...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
  • Tranche Browser
    ...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
  • DB2 File Format
    [[Category:Formats]]
    7 KB (1,153 words) - 21:38, 19 April 2016
  • Mol2db2 format
    [[Category:Formats]]
    7 KB (1,168 words) - 00:48, 11 March 2014
  • Mol2db2 Format 2
    [[Category:Formats]]
    7 KB (1,289 words) - 15:44, 23 October 2014
  • ZINC15:examples:public
    ...format (likewise for .sdf, .mol2, .json, .xml, .txt, .xls, .csv and .tsv formats.)
    18 KB (2,725 words) - 21:41, 29 October 2019
  • Building The 3D Pipeline ZINC22
    ...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
  • Flexibase Format
    [[Category:Formats]]
    16 KB (2,235 words) - 17:59, 21 October 2012
View ( | ) (20 | 50 | 100 | 250 | 500)
Retrieved from "http://wiki.docking.org/index.php?title=Special:Search"