fcc

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the contacts retrieved from `get_intermolecular_contacts` seem to differ from those retrieved using mdanalysis + scipy for pdb file 7so9: [7so9_target.pdb.zip](https://github.com/haddocking/fcc/files/10040456/7so9_target.pdb.zip) [contacts_mda_7so9_target.txt](https://github.com/haddocking/fcc/files/10040443/contacts_mda_7so9_target.txt) It seems that the mda list contains [('A', 84,...

mgiulini

Allow numbers as chainIDs/segIDs

5

When a PDB has numbers instead of characters as chainIDs and/or segIDs, `calc_fcc_matrix` returns the following error: ```bash 1 + BEGIN: Mon Nov 13 01:18:23 2017 2 + Parsing 202...

mtrellet

Make use of more recent libraries to generate the contact files. Change format for something readable, no need to use fancy numbers (performance hit is likely minimal).

JoaoRodrigues

Example: do clustering only using contacts involving residues 1-10 of chain A.

JoaoRodrigues