Quantcast

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.
1234 ... 95
Topics (3320)
Replies Last Post Views Sub Forum
problem with requesting for git pull by Mohammad Ghahremanpo...
1
by Noel O'Boyle
openbabel-devel
my email address by Jo Boehm
0
by Jo Boehm
General discussion
Filter PDB with COMPND Identifier by Jack Shultz-2
9
by online
OpenBabel for Python 3? by John
5
by John
General discussion
new MacroMolecular Transmission Format (MMTF) by Stefano Forli
0
by Stefano Forli
openbabel-devel
Atomic charge changed during conversion from pdb to mol2 by samdani
2
by Noel O'Boyle
General discussion
The importance of impurity analysis in pharmaceutical products: an integrated approach by AdaB
0
by AdaB
General discussion
Command line help for protonation by Stuart
7
by Pascal Muller-3
General discussion
Diamine Oxidase by susanrey
0
by susanrey
General discussion
Open Babel 2.3 unable to filter batch SDF files on basis of logP and ROTATABLE_BOND by baccilus
3
by Geoff Hutchison
General discussion
Building a molecule ( with SMILES) along a given vector by raindeath
1
by Geoff Hutchison
General discussion
2.3.2 release: make test errors (isomorphism, rotor, pytest). by David GarcĂ­a Aristeg...
2
by Noel O'Boyle
General discussion
java openbabel help by wfeng1280
0
by wfeng1280
General discussion
New Windows User having problems with Openbabel (not sure if the first posting worked) by Stuart
1
by Geoff Hutchison
General discussion
New Windows User having problems with Openbabel by Stuart
0
by Stuart
General discussion
Cannot understand the element label Du. by jrhaulung
3
by mirix
General discussion
Re: Ligand Information losing during splitting of large dataset by Geoff Hutchison
0
by Geoff Hutchison
General discussion
Problem in Open babel, when in working with Mesmer 4.1 by Sourav Ghoshal
1
by Noel O'Boyle
General discussion
Re: [InChI-discuss] Fw: inchi numbering of pro-chiral protons by Noel O'Boyle
0
by Noel O'Boyle
General discussion
Generating all cis-trans stereoisomers by cgram
3
by Noel O'Boyle
General discussion
Pybel Attribute error with 'delete_vectorULong' by asood
1
by Noel O'Boyle
General discussion
install of open babel for pymol under window 10 - BABEL_DATADIR issues?? by Thomas Ryckmans
3
by Thomas Ryckmans
General discussion
obconformer by bossarom
1
by Geoff Hutchison
General discussion
obminimize by bossarom
1
by Geoff Hutchison
General discussion
Re: [Open Babel] GAFF2 in babel? by Geoff Hutchison
0
by Geoff Hutchison
openbabel-devel
GAFF2 in babel? by Albert
5
by Geoff Hutchison
General discussion
Using Chemistry::OpenBabel::OBDescriptor::FindType in Perl by David Rose-9
3
by David Rose-9
openbabel-scripting
Obconformer / Obminimize by bossarom
0
by bossarom
General discussion
Unable to import pybel in Python by Dan Smith
7
by Dan Smith
General discussion
Windows + Data directory. by mwojcikowski
8
by mwojcikowski
openbabel-devel
Open Babel descriptor export in text? by Kimmy Laugh
1
by Geoff Hutchison
General discussion
Conda Windows by Noel O'Boyle
7
by Geoff Hutchison
openbabel-devel
OB API/ABI changes by Noel O'Boyle
12
by Noel O'Boyle
openbabel-devel
Create atom and set (real) valence by cgram
0
by cgram
General discussion
fillUC sets space group to P1? by Patrick Avery
1
by Geoff Hutchison
openbabel-devel
1234 ... 95