User control of hydration layer contrast in crysol 3.0

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA, PyMOL plugin SASpy
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Maniac_from_CPH
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Joined: 2019.03.20 17:01

User control of hydration layer contrast in crysol 3.0

#1 Post by Maniac_from_CPH » 2019.03.20 17:28

Hello Saxier Forum,

I have been making some test with crysol 3.0 (https://www.embl-hamburg.de/biosaxs/man ... ysol3.html). I really like that it outputs the hydration layer in a separate pdb, very nice for visualization purposes. However, the new crysol 3.0 does not allow the user to vary the contrast of the layer - although it is done automatically if fitting to experimental data.

Would it be possible to add this option in future releases?

Kind regards,
Martin

SaxsMax
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Posts: 354
Joined: 2007.08.03 19:16

Re: User control of hydration layer contrast in crysol 3.0

#2 Post by SaxsMax » 2019.03.21 11:25

Indeed it is currently not possible to provide the User-defined contrasts of the hydration shell(s) in Crysol 3.0.
It can be enabled in the future Atsas releases

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