From: Brian Radak (bradak_at_anl.gov)
Date: Sun Dec 04 2016 - 17:54:21 CST
Detailed analyses like this can probably be performed in either CHARMM,
AMBER's cpptraj, or perhaps some of the Python libraries like
MSMBuilder, PyEmma, or MDTraj.
On 12/04/2016 07:05 AM, Peter Mawanga wrote:
> Is there any external tool/script/software/etc. that could be used to
> perform Clustering with specific criteria such as:
> 1. Com cut-off
> 2. Minimum neighbours needed
> 3. RMSD deviation etc.
> all combined together.
> Also, could I perform Fuzzy-logic and other clustering with .dcd
-- Brian Radak Postdoctoral Appointee Leadership Computing Facility Argonne National Laboratory 9700 South Cass Avenue, Bldg. 240 Argonne, IL 60439-4854 (630) 252-8643 brian.radak_at_anl.gov
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