Converting a part of a molecule in pdb to xyz format
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
On Feb 22, 2017, at 12:00 AM, Vladyslav Dziuba <xenonbat@ya.ru> wrote:
Greetings. Could you possibly help me with cobverting of pdb to xyz? I need to select a part of a molecule, "cut it out", and write coordinates of this part into xyz file. Is it possible? How to do that?
Thank you for your reply in advance
Best regards, Vladyslav Dziubz
participants (2)
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Elaine Meng
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Vladyslav Dziuba