Oligomer maximum number of curves in form factor file?

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
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cmarasini
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Oligomer maximum number of curves in form factor file?

#1 Post by cmarasini » 2017.04.04 20:39

Hello!
I am using oligomer for fitting an experimental curve with a very big pool of conformations (around 30000). I created the form factor files for all the confirmation together by myself (ffmaker doesn't allow more than 50 curves).
I cannot run the program with the file with 300000 curves, so I was wondering: does also oligomer has 50 as maximum curves that it can read in the form factor data? Eventually, is there any solution?
Thank you
Carlotta

Alex
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Re: Oligomer maximum number of curves in form factor file?

#2 Post by Alex » 2017.04.06 12:38

i think Oligomer is meant for limited number of conformations, assuming your system is not that flexible.
If your system is flexible, i believe you should use EOM. Perhaps, one can play with number of curves per ensemble setting it to a very high
number (i have not tried more that 50-100 though).
HTH, Alex

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