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DeepRank / Deeprank-GNN

Graph Network for protein-protein interface
Apache License 2.0
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OSError: [Errno msms] is not installed see : 'http://mgltools.scripps.edu/downloads#msms' #77

Open zhenpingli opened 1 year ago

zhenpingli commented 1 year ago

Hi ? I install mgltools, if any additional commands that need to be configured？

zhenpingli commented 1 year ago

I find the answer the tool msms is in https://ccsb.scripps.edu/msms/ how to fix it is in https://www.cnblogs.com/Elvis123/p/13978808.html or in https://ssbio.readthedocs.io/en/latest/instructions/msms.html