Open Babel
Open Babel
Open Babel is a cross-platform program and library designed to interconvert between many file formats used all branches of chemistry. Find out more at
http://openbabel.org
.
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Reference LogP / PSA
by Pascal Muller-3
36
by warmloftsinsulation
OBConversion::Write() segfault
by Steffen Neumann
3
by havenhaven
Command line conversion of InChI to Mol with babel
by Ronan Fleming
7
by dejaolsone
adding hydrogen
by hao wang
9
by Gasbagsion
pybel install via synaptic
by Andy D P
4
by arianapham
How to calcualate atom count and bond
by Pranav Thakur
8
by arianapham
MACCS Fingerprints in pybel
by david.lagorce
13
by ameliaweigall
Problems with java interface
by David Jessop
8
by alicetaylor
Filter PDB with COMPND Identifier
by Jack Shultz-2
15
by nguyenthaovan
code for GenerateTopologicalDistanceMatrix function
by dong_li3
6
by phamyen123
OpenSMILES: Comments in SMILES files
by Craig James-2
12
by bulksmsusa
problem with sdf->pdb conversion
by Roni Gordon
16
by aladanh
Openbabel error in ReadFile
by Kohsei Tsuji
0
by Kohsei Tsuji
General discussion
SBM Crusher Supports Stone Crushing Machine Market
by sbmcrusher
0
by sbmcrusher
General discussion
Append molecular formula and molecular weight to SMILES format list
by RicardoMBorges
0
by RicardoMBorges
openbabel-devel
How do you keep "comment-type" information ? (from an SDF file)
by ashika
3
by signage
General discussion
website content writing services india
by bestcontent
0
by bestcontent
General discussion
"b" option in INOPTIONS in python
by devw
3
by devw
General discussion
Pybel attribute error
by Kohsei Tsuji
0
by Kohsei Tsuji
General discussion
Java bindings: OBMol.SetData()
by Jon Fuller
3
by ACTprepclasses
General discussion
Need help in calculationg tanimoto coefficient
by chakravarthy
18
by alleppeyhouseboat
General discussion
Pdbqt output missing protein side chains
by David van der Spoel
0
by David van der Spoel
General discussion
Put atoms of target molecule in same order as reference
by CodyA
3
by Geoff Hutchison
General discussion
Ring conformations from builder
by Stefano Forli
3
by Geoff Hutchison
openbabel-devel
Pybel: smi is not a recognised Open Babel format
by Oliver Stueker-2
4
by Stefano Forli
General discussion
Encoding error: python-openbabel/pybel
by Keiron O'Shea [keo7]
1
by Noel O'Boyle
General discussion
NSIS installation error
by Walid El-Sharoud
0
by Walid El-Sharoud
General discussion
modify molecules through internal coordinates
by Xianghai Sheng
2
by Xianghai Sheng
General discussion
NSIS Error
by Walid El-Sharoud
0
by Walid El-Sharoud
General discussion
Website down?
by Xianghai Sheng
1
by Geoff Hutchison
General discussion
Can I get force field gradient using openbabel or pybel?
by xh s
0
by xh s
General discussion
Reading multiple charge types from Gaussian output
by Mohammad Mehdi Ghahr...
4
by Mohammad Mehdi Ghahr...
openbabel-devel
pull request for an old patch
by Mohammad Mehdi Ghahr...
12
by Mohammad Mehdi Ghahr...
openbabel-devel
Isotope table
by Noel O'Boyle
1
by Geoff Hutchison
openbabel-devel
Error when doing SDF -> XYZ -> SDF
by laetis69003
0
by laetis69003
General discussion
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