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Biomachina

Multi-scale 4-D analytics for MD trajectories.

new  In support of two new papers in 2017, we have released in version 1.5 an improved BADE solver for mutal information. We also extended TimeScapes to lipids and solvent analysis (this code will be released shortly, for inquiries please write to the e-mail address below).

Version 1.4: Advanced Nonlinear Statistics using Multual Information. In support of a new paper (Kovacs and Wriggers, 2016), we have implemented a new fast information matching (FIM) solver that bridges between fast and slow time scales and generates 3-D spatial heat map images from a statistical analysis of 1-D MD trajectory time series.

Time
Scapes
is a Python-based package that can be used to detect and characterize significant conformational changes in simulated biomolecular systems. The program makes use of multiple time scales of dynamics and spatial organization.
Coarse Grained Model

The software is copyrighted, (c) 2017 under the terms of the legal statements in the distribution . Please send any inquiries, bug reports, etc. to timescapes >>at<< biomachina.org.

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