Keyword Analysis & Research: yasara md


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Frequently Asked Questions

What is what if YASARA?

WHAT IF YASARA knows the answer?! With over 3500 citations, WHAT IF is a widely used modeling program, well known e.g. for its structure validation and prediction tools. The WHAT IF / YASARA Twinset is a unified all-in-one distribution of the two programs with extended functionality.

How to install YASARA plugin for Windows?

Download YASARA plugin for windows (and the executable and rotabase file) from FoldX website, unzip, copy and paste all files into YASARA\plg folder. 2. Install python from YASARA help>install menu.

How does the YASARA simulation report work?

YASARA runs for each block the md_analyze macro and creates in the end a single report containing detailed information about the system, e.g. energies, RMSDs, hydrogen bonds per block. By default the simulation snapshots are split into 3 blocks, so the second and third block can be compared to see if convergence has been reached.

Is YASARA View software worth it?

I have downloaded the free YASARA view software and it's quite nice and user friendly as advertised. This will definitely become one of the tools that I will use to look at structures in certain circumstances. But what I am interested in is whether the additional features that one has to pay for are necessarily useful.

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