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openmm / pdbfixer

PDBFixer fixes problems in PDB files
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Rename chain #236

Closed IkramMHD closed 2 years ago

IkramMHD commented 2 years ago

Hi,

I'm writing you because i want to test pdbfixer and i'm wondering if we can rename chain using pdbfixer.

Thank's

peastman commented 2 years ago

You can rename a chain by just modifying it directly.

chains = list(fixer.topology.chains())
chains[0].id = 'A'
IkramMHD commented 2 years ago

Thank's you.