[gmx-users] SUGAR-PIE: Scripted Utility to Get Atomic Resolution by Positional Interpolation/Extrapolation
angel.pineiro at usc.es
Wed Mar 7 23:02:23 CET 2012
This message is to announce the launching of SUGAR-PIE, a new web
application designed for the easy mapping of lipid bilayers from coarse
grain to atomistic resolution. The users only need to upload a coarse
grain PDB or GRO file with a lipid bilayer and will get back an
atomistic PDB file. It is also possible to introduce a mixture of lipids
(only DPPC and POPC are currently available) and even a protein embedded
or interacting with the bilayer. If a protein is included in the system
you should also upload an atomistic PDB file for it.
The application has been tested with quite standard systems since the
number and variety of coarse grain structures we have available is
limited. We hope the range of systems that the current version of
SUGAR-PIE is able to map back is useful for many GROMACS users. Of
course we would appreciate any comment and suggestion.
We encourage you to visit our web site for more information as well as
to test SUGAR-PIE at http://smmb.usc.es/sugarpie/sugarpie.php
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