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Following is a description of the bug in chain parsing I found using PyBel. The actual description is from an e-mail exchange with Noel O'Boyle, and I have modified it slightly to make more sense in this context.
> I tried to iterate over all atoms from the OBMol object, and this
> does work, but I noticed that the chain membership is apparently not parsed
> correctly from the PDB file...
2009-08-18 22:48:52 UTC in Open Babel
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Text from an e-mail exchange describing the problem and identifying a solution:
On Wed, Oct 15, 2008 at 7:59 PM, Robert DeLisle wrote:
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> As you know, I've been working with descriptors in RDKit, and I think I've
> found a bug in the calculation of H-bond Acceptors. Attached is an example
> structure, N-methyl-1H-indole-6-carboxamide. When I calculate...
2008-10-20 22:03:45 UTC in RDKit
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I changed the parameters file to provide a faster running application. The resulting AI may not be very interesting, but there will be more sensory feedback from the start. This may also alleviate some of the crash problems seen in the past, as there may be a problem with the input values in Windowed AI mode. I'm working on a fix, but for now...
The changes I made:
Switch the AI Mode...
2007-04-16 18:01:10 UTC in AIPac - Evolving PacMan AI (Pac Man)
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kirkd registered the AIPac - Evolving PacMan AI (Pac Man) project.
2007-04-07 00:05:04 UTC in AIPac - Evolving PacMan AI (Pac Man)
