Make the format of the PDB flexible so that we can read ZDOCK file#81
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NicoRenaud wants to merge 6 commits into
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Make the format of the PDB flexible so that we can read ZDOCK file#81NicoRenaud wants to merge 6 commits into
NicoRenaud wants to merge 6 commits into
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We can now read zdock files (and most likely other format that complies with the PDB format up to the xyz coordinate). |
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This PR is stale because it has been open for 14 days with no activity. Remove stale label or comment or this will be closed in 7 days. |
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This PR is stale because it has been open for 14 days with no activity. Remove stale label or comment or this will be closed in 7 days. |
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This PR was closed because it has been inactive for 7 days since being marked as stale. |
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I'm not sure if that's something we really want to do, but since pdb files are not all the time in the exact format we would like them to be, this PR tries to make pdb2sql a bit more flexible so that we can read more pdb files. See #74
There is now a
flexible_formatarg in the constructor ofpdb2sqlthat if turned totrueallow to only read the data up to the xyz coordinates. The default value isfalseand will therefore crash when trying to open a non ideal pdb files