UCLOrengoGroup / cath-tools

Protein structure comparison tools such as SSAP and SNAP
http://cath-tools.readthedocs.io
GNU General Public License v3.0
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Add --pdb-infile option to cath-ssap and use it in --do-the-ssaps #53

Open tonyelewis opened 6 years ago

tonyelewis commented 6 years ago

ATM, when cath-superpose calls cath-ssap under the --do-the-ssaps option, it only specifies IDs but it'd be much better if it specified the actual files it's used.

Even better: use the parsed PDB structures it's already loaded. What's involved in that?