Dear AMBERs,
in the paper "SPAM: A Simple Approach for Profiling Bound Water
Molecules" by Guanglei Cui, Jason Swails and Eric Manas (JCTC, 2013), it
is stated that ''To facilitate the application of SPAM analysis, all the
steps prior to the water interaction energy calculation were implemented
in the /cpptraj/ module of the freely available AmberTools 12 suite. A
Python frontend driver, SPAM.py, was also written and can be used to
automate the entire SPAM analysis with minimal user intervention."
Is it indeed possible to use SPAM with AmberTools 12 at the moment, and,
if so, where one can get it and the corresponding documentation?
Thanks and cheers,
Sergey
--
Sergey A. Samsonov
Postdoctoral researcher
Structural Bioinformatics
Biotechnology Center
Tatzberg 47-51
01307 Dresden, Germany
Tel: (+49) 351 463 400 83
Fax: (+49) 351 463 402 87
E-mail: sergey.samsonov.biotec.tu-dresden.de
Webpage: www.biotec.tu-dresden.de
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Received on Thu Jan 23 2014 - 06:00:03 PST
