ADL: why the gasteiger charges are different generated by the ADT GUI METHOD and prepare_ligand4.py

陈照强 zqchen at simm.ac.cn
Sun Jan 7 17:46:59 PST 2018


Dear All





 why the gasteiger charges are different generated by the ADT GUI METHOD and prepare_ligand4.py?

Any advice and suggestions will be greatly appreciated.





Chen Zhaoqiang


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