MobleyLab / Lomap

Alchemical mutation scoring map
MIT License
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add the function to layout infomation (filename, score, conectivity) in txt files #23

Closed shuail closed 7 years ago

shuail commented 7 years ago

Add the layout_info function to output the information in txt format including ligand index (corresponding to the index in the graph), ligand filename, strict, loose, charge score, and connectivity (corresponding to the graph).

davidlmobley commented 7 years ago

Resolved by #18