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Confab specifications


Unique identifier OMICS_26456
Name Confab
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input data A 3D structure with reasonable bond lengths and angles.
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++
License GNU General Public License version 2.0
Computer skills Advanced
Maintained No


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Publication for Confab

Confab citations


Chlorinated Azaphilone Pigments with Antimicrobial and Cytotoxic Activities Isolated from the Deep Sea Derived Fungus Chaetomium sp. NA S01 R1

Mar Drugs
PMCID: 5852489
PMID: 29438326
DOI: 10.3390/md16020061

[…] Conformational analysis was initially performed using Confab [] with systematic search at MMFF94 force field for undetermined relative configurations of compound 1. Room-temperature equilibrium populations were calculated according to the Boltzmann distr […]


Cytotoxic and Antibacterial Compounds from the Coral Derived Fungus Aspergillus tritici SP2 8 1

Mar Drugs
PMCID: 5706038
PMID: 29112138
DOI: 10.3390/md15110348

[…] Conformational analysis was initially performed using Confab [] with the MMFF94 force field for all configurations. Room-temperature equilibrium populations were calculated according to the Boltzmann distribution law Equation (1). The conformers with Bol […]


A fast topological analysis algorithm for large scale similarity evaluations of ligands and binding pockets

J Cheminform
PMCID: 4631714
PMID: 26561508
DOI: 10.1186/s13321-015-0091-5

[…] charges method; hydrogens were added to the structures at a pH of 7.4 and Gasteiger charges were assigned using Open Babel []. The generation of conformations in some test-cases was carried out using Confab []. The conformation sampling procedure used an RMSD cutoff of 0.65 Å, energy cutoff of 35 kcal/mol, and a maximum of of 5,000 sampled conformers while keeping the input conformer. […]


Indole diketopiperazines from endophytic Chaetomium sp 88194 induce breast cancer cell apoptotic death

Sci Rep
PMCID: 4365412
PMID: 25787158
DOI: 10.1038/srep09294

[…] The conformational spaces for the 3R and 3S isomers of Oidioperazines E (2) were explored using both BALLOON and confab programs. The BALLOON program searches conformational space with genetic algorithm, whereas the confab program systematically generates diverse low energy conformations that are supposed to be […]


FTMAP: extended protein mapping with user selected probe molecules

Nucleic Acids Res
PMCID: 3394268
PMID: 22589414
DOI: 10.1093/nar/gks441

[…] search, it is necessary to generate the set of the most likely rotamers. The extended FTMAP server accepts user-supplied small molecules as SMILES strings, and generates conformers using the program Confab () to be used alongside the 16 standard types of small molecules. Second, mapping needs a substantial number of parameters, both for the grid search and for the minimization by CHARMM. Paramete […]


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Confab institution(s)
Analytical and Biological Chemistry Research Facility, University College Cork, Western Road, Cork, Co. Cork, Ireland; Open Babel development team; Department of Chemistry, University of Pittsburgh, Chevron Science Center, Pittsburgh, PA, USA.
Confab funding source(s)
Supported by a Health Research Board Career Development Fellowship, PD/2009/13.

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