Converting a part of a molecule in pdb to xyz format

22 Feb
22 Feb
10:41 a.m.
Hi Vladyslav, In Chimera you can select part of the structure and then save only the selected atoms (it is an option in the File… Save PDB dialog), but it will stil be PDB format. <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#pdb> Chimera does not convert PDB to XYZ format, so you would need to find some other program to do that part -- maybe openbabel? Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
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Elaine Meng
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Vladyslav Dziuba