From: Célien J. - E. <jac...@un...> - 2017-11-14 11:12:10
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Hello, I'm using PyMOL 1.8.6.1 (64 bits) on a Linux distribution (CentOS 7). I used PyMOL API for CE alignment (protein and ligand) with a reference (target) protein. Then, I saved the aligned protein and ligand. Input and output format are mol2. However, I noticed that atomic types from aromatic ring aren't correct. From the input file, type is 'C.ar' but becomes 'C.2' in the output file. The right bond type is conserved (C.ar). So my question is: Is it a bug or an expected behavior ? Best regards Célien Jacquemard |