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Hydrogenation is failing to observe coplanar rules. #287
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This should be fixed right away before continuing with the cron fixes. Would also be good to create a unit test for hydrogenate() generating coplanar hydrogens in side chains that should have them: Arg, Asn, Gln, His, Phe, Trp, Tyr. |
The coupled homology branch has a fix for this one. |
* Fixed an unrelated segfault that was an obstacle. * Fix for #282 before work can be done on #287. * Upgrade of Point class to double precision. * Test file for coplanar pi hydrogenation. * Pepteditor script for coplanar pi hydrogen test. * Test of coplanar pi atoms after hydrogenation. * Updated tests affected by the Point precision. * Fixed array deletion before array usage. * Observe pi coplanarity when hydrogenating. * Updates to tests. * Retrying... * Fixed infinite loop. * Temporarily increasing limit. See #288. * Unit test. * Unit test enhancements.
It looks like the way to test this would be to re-add the |
This is from the hGNAL PDB:
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