[gmx-users] pdb generator

Momin Ahmad momin.ahmad at kit.edu
Tue Nov 13 15:04:23 CET 2018


is there a tool where i can use for example a .cif file (or .xyz) file 
to generate a .pdb file with correct classification? For example 
Avogadro classifies all atoms as LIG and i cannot change it. Is there 
also another tool which can be used to generate large scale crystal 
structures with building blocks as input?



Momin Ahmad

Karlsruhe Institute of Technology (KIT)
Steinbuch Centre for Computing (SCC)
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen
Phone: +49 721 608-24286
E-Mail: Momin.Ahmad at kit.edu

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