Running DAMAVER output through DAMMIN for refinement

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA
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Mr Chips
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Posts: 10
Joined: 2009.07.07 17:00
Location: Manchester Interdisciplinary Biocentre, University of Manchester, England

Running DAMAVER output through DAMMIN for refinement

#1 Post by Mr Chips » 2009.10.01 16:34

Hi,

Ive run 8 DAMMIN models of the same data set through DAMAVER which has given me the 'damaver.pdb' file. I would now like to run this averaged model back through DAMMIN for further refinement however when I run DAMSTART I get out a 'damstart.pdb' file which cant be read by DAMMIN, only GNOM output (.out). Do I need to generate a distance distribution function from these PDB coordinates first? Or transform the model into a scattering curve (.dat) to run it backthrough GNOM and then DAMMIN? What am I missing?

Regards,

Mr Chips

Mr Chips
Member
Posts: 10
Joined: 2009.07.07 17:00
Location: Manchester Interdisciplinary Biocentre, University of Manchester, England

Solved!

#2 Post by Mr Chips » 2009.10.05 14:19

Hi

Problem solved. I shouldnt have been using ATSAS online to do this. Running the program on my own computer permits the use of a starting envelope in .pdb form.

Regards,

Mr Chips

prithaghosh
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Posts: 12
Joined: 2019.02.22 18:20

Re: Running DAMAVER output through DAMMIN for refinement

#3 Post by prithaghosh » 2019.12.04 14:23

Hello,

Can you please tell me how did you solve this issue?

Thank you.

Regards
Pritha

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