Anna avangone
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| #!/usr/bin/env python | |
| """ | |
| Script to convert mmCIF files to PDB format. | |
| usage: python cif2pdb.py ciffile [pdbfile] | |
| Requires python BioPython (`pip install biopython`). It should work with recent version of python 2 or 3. | |
| @author Spencer Bliven <spencer.bliven@gmail.com> | |
| """ |
JoaoRodrigues
/ struct_compare.py
Last active
September 26, 2023 04:15
Very long script to match the chains of PDB files to a reference. Produces a lot of output per match: which chains match which, the seq. id, the RMS after iterative fitting, and the alignment with markers of seq and structural mismatch.
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| #!/usr/bin/env python | |
| """ | |
| Utility to match (and compare) PDB files. | |
| On homo-multimers, will match chains sequentially. | |
| Uses global sequence alignment to find equivalent positions | |
| between the sequences. Also superimposes the structures based | |
| on the alignments and outputs per-chain RMSDs. |