Im trying to do a computational study on the dissolution of pentacene crystals in naphthalene, I found a crystallographic study about pentacene that included three CIF files. I read elsewhere in another thread that I could save the CIF as a PDB to get something I can use in AMBER, but mercury saves a PDB with a lot of problems, duplicates, unknown residue names, etc.
Yoshinobu Ishikawa
Hi William,
To convert a CIF file to a PDB, try Open Babel:
http://openbabel.org/wiki/Main_Page
https://www.youtube.com/watch?v=I6xf2itreeQ
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William Chance Robinson
All of the answers supplied here were very usefull, links and advice. I appreciate the help from all of you!
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