Comments (2)
Hi @nabraham47 ,
I am very rarely a .pdb format user but there seems to be one or more issues with the PDB reader. (like #57 ) If you open up a pullrequest with the changes I will accept the changes.
from rmsd.
Hi @nabraham47 ,
your very valuable suggestion contributed to widen the potential scope of the script,
because openbabel
, widely used to convert between chemistry relevant files, equally
uses HETATOM
as a line instruction.
from rmsd.
Related Issues (20)
- Pre-specify residuals? HOT 4
- be aware of reflection operation HOT 3
- Output rotation matrix HOT 3
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- saving rotated coordinate? HOT 2
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- error: Structures not same size HOT 3
- Incorrect values for proteins HOT 5
- error: Structures not same size HOT 4
- reordering while preparing for output HOT 4
- rmsd package requires typing_extensions but missing from setup.py HOT 1
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