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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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Topics (3031)
Replies Last Post Views Sub Forum
OpenBabel and C++11 by Itay Zandbank
1
by Matthew Swain
General discussion
Conversion of SMILES to SMARTS String by Wallace Chan
5
by Chris Morley-3
General discussion
problem with mol.make3D() regarding indexing and getting atomic mass by vk
0
by vk
General discussion
rotor test fails on AArch64 architecture by Marcin Juszkiewicz
7
by Yaakov Selkowitz
openbabel-devel
code for GenerateTopologicalDistanceMatrix function by dong_li3
4
by arronlee
mol2 writer adds residue number to residue name by Hannes Loeffler
1
by Hannes Loeffler
General discussion
Add comments to output file by Jim Parker
2
by Jim Parker
General discussion
Get Atom name information from OBMol class using python bindings by Jim Parker
4
by Dimitri Maziuk
General discussion
Forcefields in Static Executable by navjas73
2
by navjas73
General discussion
FREE FREE FREE ! NIKE DAME FREE 5.0 by ollebb
0
by ollebb
General discussion
C++ / segfault / "open file" change? by Pascal Muller-3
9
by Paolo Tosco
General discussion
POSCAR to .gjf conversion error by Cameron Bodenschatz
2
by Cameron Bodenschatz
General discussion
chirality and SMARTS pattern matching by Stefano Forli
6
by Geoff Hutchison
General discussion
Nike Oxygen Push shoes or by xiaotaimeida
0
by xiaotaimeida
General discussion
nike schoenen brussel by xiaotaimeida
0
by xiaotaimeida
General discussion
How to assign numbers to H atoms name when converting PDB to MOL2 file? by Ooker
9
by Ooker-2
General discussion
Bug? / segfault with mol2 5-membered cycle (mol2format.cpp) by Pascal Muller-3
0
by Pascal Muller-3
General discussion
Custom a new element/atom by linw1
2
by linw1
General discussion
Helium 0.2.0 Release by Tim Vandermeersch
2
by Tim Vandermeersch
General discussion
Which data format is best for getting adjacency matrix? by Eva Nuenno
1
by Geoff Hutchison
General discussion
Getting Compile time Error For Android Installation by Amit Pal
3
by Geoff Hutchison
General discussion
-bash: /usr/local/bin/babel: No such file or directory by Holly
1
by Geoff Hutchison
General discussion
toms norge sko salg #BCND3257 by ollebb
0
by ollebb
General discussion
Invert tetrahedral chirality in Python by Stefano Forli
2
by Stefano Forli
General discussion
Build with MCVC 2013 - 86 errors when building release by Joos Kiener
0
by Joos Kiener
General discussion
No substructure session in mol2 output by Ooker
2
by Ooker
General discussion
Atom mapping for Reaction SMILES by Rudesh.AZ
2
by davew
General discussion
Distance based screening for bonds in ConnectTheDots fails for phosphorus in lipids by Casper Steinmann
0
by Casper Steinmann
openbabel-devel
Broken svg #1 by Dimitri Maziuk
2
by Geoff Hutchison
General discussion
Convert double bond type by Joos Kiener
1
by Geoff Hutchison
General discussion
Depiction of aromatic compounds by Tim Vandermeersch
1
by Geoff Hutchison
openbabel-devel
Read pdb files in C++ by Nicolas Cheron-2
2
by Nicolas Cheron-2
General discussion
trying to implement chemical structure matching by ANKIT RUNGTA
2
by Chris Morley-3
General discussion
Wrong alignment of two molecules after SMARTS manipulation by Giulio Pepe
4
by Giulio Pepe
General discussion
Building with Perl by Jeff Janes
3
by Jeff Janes
General discussion
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