-
Notifications
You must be signed in to change notification settings - Fork 121
Open
Labels
Description
Describe the bug
In the case of e.g. antibodies with insertions in the CDR loops numbered with additional A, B, C..., running pdb_selaltloc will delete the insertions. Those are basically interpreted as alternate locations.
To Reproduce
Steps to reproduce the behavior. Preferrably, a code snippet.
pdb_fetch 1uz8 | pdb_tidy -strict | pdb_selchain -A | pdb_delhetatm | pdb_selaltloc | pdb_fixinsert | pdb_keepcoord | pdb_tidy -strict |grep " CA " |head -40 >results1.pdb
pdb_fetch 1uz8 | pdb_tidy -strict | pdb_selchain -A | pdb_delhetatm | pdb_fixinsert | pdb_selaltloc | pdb_keepcoord | pdb_tidy -strict |grep " CA " |head -40 >results2.pdb
diff results1.pdb results2.pdb
Expected behavior
pdb_selaltloc should not delete insertions!
Desktop (please complete the following information):
- OS: Mac OS
- Python Version 3.12.8