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Pepteditor: Helix function is warping side chains. #282
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Jun 24, 2023
Since our predictions use ready-made PDBs, and therefore do not involve creating helices, this issue is not urgent. |
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It is happening even without helixing them. |
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* 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.
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From this script:
all20.pdb.txt
Can't seem to attach a PDB extension, but if rename the attachment from .pdb.txt to .pdb, can see in the viewer just how much it's distorting certain side chains, e.g. arginine, leucine, all four of the aromatics...
Doesn't happen if no
HELIX
command.The text was updated successfully, but these errors were encountered: