|From:||Amir Hossein Saeedi <asaeedi@...7272...>|
|Date:||Mon, 4 Dec 2017 15:53:22 +0000|
I'm going to build a data file, containing bonds/angles/ dihedrals, from a pdb file using VMD topotool.
However, I think vmd guesses bonds according to atom types and coordinates. Is there any naming convention for atom naming in pdb? If yes, could anybody introduce an appropriate link. Also, is there any preprocessor for automatically generating such standard names for a given molecule?
I made some trials in Avogadro and Arguslan. But, they are inappropriate.
With Kind Regards
Saeedi Dehaghani Amir Hossein
Department of Petroleum Engineering
Faculty of Chemical Engineering
Tarbiat Modares UniversityAddress: Tarbiat Modares University, Jalal Ale Ahmad Highway, Gisha Bridge, Tehran, Iran
Tel: +98 21 82883350
Fax: +98 21 82883350