Nancy wrote:
Hello,
I ran a docking simulation, and I have results in .mol format, and a
protein (.pdb format). I would like to save both as a single PDB file,
as input for Gromacs. Please advise as to what is the best way to do this.
Try Open Babel:
http://openbabel.org/wiki/Main_Page
-Justin
Thanks,
Nancy
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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