Hi,
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?
Cheers
Momin
--
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.ah...@kit.edu
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