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BKChem specifications


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




No version available



  • person_outline Reinis Danne

Additional information


BKChem citations


Crystal structures of Lymphocytic choriomeningitis virus endonuclease domain complexed with diketo acid ligands

PMCID: 5947727
PMID: 29765612
DOI: 10.1107/S2052252518001021
call_split See protocol

[…] of 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 UCSF […]


The crystal structure of alanine racemase from Streptococcus pneumoniae, a target for structure based drug design

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

[…] 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 Poisson-Boltzma […]


Open access and open source in chemistry

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

[…] 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 s […]


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