David van der Spoel
David van der Spoel
Unregistered User
Groups: Anyone
Posts in Open Babel
1234 ... 6
Show   Total: 115 items
Date Subject Count Location
Pdbqt output missing protein side chains 0 replies General discussion
Output of charge to sdf file or inchi 1 reply openbabel-devel
Re: Reading molecular coordinates in standard orientation 0 replies openbabel-devel
Re: distorted rings with obminimize -ff GAFF 0 replies General discussion
Re: distorted rings with obminimize -ff GAFF 2 replies General discussion
Re: GAFF2 in babel? 0 replies General discussion
Re: OB API/ABI changes 5 replies openbabel-devel
Re: OB API/ABI changes 0 replies openbabel-devel
Re: Hard, Slow, or Tricky Kekule structures 0 replies openbabel-devel
OBMol::EndModify 0 replies openbabel-devel
Re: Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug 0 replies openbabel-devel
Re: Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug 0 replies openbabel-devel
Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug 7 replies openbabel-devel
Re: bondtyp.txt 0 replies openbabel-devel
Re: Generating SMARTS format 1 reply openbabel-devel
Re: Bonds for unusual valencies 1 reply openbabel-devel
Re: Bonds for unusual valencies 0 replies openbabel-devel
Bonds for unusual valencies 5 replies openbabel-devel
Re: (no subject) 2 replies openbabel-devel
Re: 2.4 Release - Scheduling & Future Plans 1 reply openbabel-devel
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