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Mailing list archive for openbabel-discuss
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Topics (1166)
Replies Last Post Views
Open Babel 2.3 unable to filter batch SDF files on basis of logP and ROTATABLE_BOND by baccilus
3
by Geoff Hutchison
2.3.2 release: make test errors (isomorphism, rotor, pytest). by David GarcĂ­a Aristeg...
2
by Noel O'Boyle
java openbabel help by wfeng1280
0
by wfeng1280
New Windows User having problems with Openbabel (not sure if the first posting worked) by Stuart
1
by Geoff Hutchison
Cannot understand the element label Du. by jrhaulung
3
by mirix
Re: Ligand Information losing during splitting of large dataset by Geoff Hutchison
0
by Geoff Hutchison
Problem in Open babel, when in working with Mesmer 4.1 by Sourav Ghoshal
1
by Noel O'Boyle
Re: [InChI-discuss] Fw: inchi numbering of pro-chiral protons by Noel O'Boyle
0
by Noel O'Boyle
Generating all cis-trans stereoisomers by cgram
3
by Noel O'Boyle
Pybel Attribute error with 'delete_vectorULong' by asood
1
by Noel O'Boyle
obconformer by bossarom
1
by Geoff Hutchison
obminimize by bossarom
1
by Geoff Hutchison
GAFF2 in babel? by Albert
5
by Geoff Hutchison
Obconformer / Obminimize by bossarom
0
by bossarom
Unable to import pybel in Python by Dan Smith
7
by Dan Smith
Open Babel descriptor export in text? by Kimmy Laugh
1
by Geoff Hutchison
Create atom and set (real) valence by cgram
0
by cgram
Problem assigning Partial Charges with OBChargeModel by Marcelino Arciniega
5
by Geoff Hutchison
Erroneous molecule from MDL file by cgram
2
by cgram
Unity3D + OpenBabel Crashing by Brian Adams
2
by Geoff Hutchison
Pybel - atomtype HN not depicted by Jain, Yatish
0
by Jain, Yatish
Pybel - atomtype HN not depicted by Jain, Yatish
0
by Jain, Yatish
Presentation on the Open Babel project by Noel O'Boyle
0
by Noel O'Boyle
fillUC strict option in python bindings by Jon Paul Janet
3
by Jon Paul Janet
SMART notation to select diamine molecule by alfredoq
4
by alfredoq
Windows 7 "import pybel" ImportError: No module named openbabel by py-sfu
1
by Noel O'Boyle
Question about file conversion by Brendan M. O'Boyle
2
by Chris Swain
generating conformers with open babel by Francois Berenger-2
2
by Francois Berenger-2
export a MACCS FP as a string by Francois Berenger-2
2
by Francois Berenger-2
Chirality and tetrahedral stereo configuration by Stefano Forli
3
by Geoff Hutchison
Re: OpenBabel-discuss Digest, Vol 119, Issue 5 by Torsten Sachse
3
by Vaibhav Dixit
unable to run babel command after installation centOS 6 by Vaibhav Dixit
4
by Vaibhav Dixit
Re: OpenBabel-discuss Digest, Vol 119, Issue 4 by Torsten Sachse
0
by Torsten Sachse
set the atom type in python interface by Yun Ding-2
1
by mwojcikowski
Confab: rotatable bond detection by alfredoq
1
by mirix
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