using DAMMIF via ATSAS online

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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using DAMMIF via ATSAS online

#1 Post by cjuark » 2020.02.12 05:45

SAXS community,

I am relatively new to the SAXS field and stumbled upon this forum and the ATSAS online service. To my knowledge, is the DAMMIF function in ATSAS also supposed to run DAMMAVER and produce the related damfilt.pdb? I recently tried running DAMMIF on multiple samples of mine, without using the clustering option and with a finite dmax specified by the input GNOM.out file, and it did not produce a damfilt.pdb. When I do run the clustering, it produces a damfilt.pdb.

This may be a very simple question, but must I run the clustering via DAMCLUST to produce the damfilt file? DAMCLUST isn't necessarily a program I need right now, and am worried I am wasting time on using it for another purpose. I'll attach a DAMMIFs log of one of my samples. Thank you!
related GNOM.out file
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log file produced from using DAMMIF online on a pca3 sample
(2.27 KiB) Downloaded 162 times

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