BKChem statistics

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BKChem specifications

Information


Unique identifier OMICS_04960
Name BKChem
Software type Application/Script
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages Python
License GNU General Public License version 3.0
Computer skills Medium
Version 0.14.0
Stability Stable
Maintained Yes

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Documentation


Maintainer


  • person_outline Reinis Danne <>

Additional information


http://bkchem.zirael.org/wiki/

BKChem in publications

 (3)
PMCID: 5947727
PMID: 29765612
DOI: 10.1107/S2052252518001021

[…] energy minimization followed by conjugate-gradient minimization, using the mmtk and amber packages (cornell et al., 1995; hinsen, 2000; lindorff-larsen et al., 2010). compounds were designed using bkchem v.0.13.0 (kosata & danne, 2010) and geometry-restrained using elbow (moriarty et al., 2009). the mol2 and pdb file formats of the ligands and receptor were converted to pdbqt format using […]

PMCID: 3146814
PMID: 21612658
DOI: 10.1186/1471-2180-11-116

[…] interface analysis server (protorp) server (http://www.bioinformatics.sussex.ac.uk/protorp/ index.html) []., representations of molecules were prepared using the programs pymol [] and bkchem (http://bkchem.zirael.org/index.html). the sequence alignment was visualized using jalview []. the electrostatic potential of the alrsp surface was calculated using the adaptive […]

PMCID: 1975827
PMID: 17939849
DOI: 10.1186/1752-153X-1-3

[…] and social) distances., several proprietary drawing packages are widely used, but open source alternatives exist. for example, free chemical drawing tools that are in development include bkchem [], and jchempaint []. sophisticated tools exist for viewing molecules in three dimensions conveniently in web pages, such as jmol []. a related product, mdlchime, is free to use but not open […]


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