Open LilySnow opened 2 years ago
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To solve this issue, I am planning to add an option chain_pairs = ['D:E', 'AB:C']
to compute_izone()
. This way, pdb2sql knows which interfaces are of interest when calculating i-RMSD for a multiple-chain complex.
i've suggested to make a few change to Li's work see #80. This basically allows to use get_contact_atoms
using multiple chains as :
db.get_contact_atoms(chain1='AB', chain2='C')
This issue is stale because it has been open for 30 days with no activity. Remove stale label or comment or this will be closed in 7 days.
Related to PR #80 and #79
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