Sreflex not working with DNA

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), analysis of flexible systems (EOM/RANCH, GAJOE, NNLSJOE), flexible refinement of high-resolution models (SREFLEX, NMATOR)
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AP
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Joined: 2023.05.28 12:21

Sreflex not working with DNA

#1 Post by AP » 2023.05.28 12:22

Hi,
I have some SAXS data that I am trying to analyse. However, I am not able to run Sreflex with DNA. The protein I am working with is a DNA repair enzyme so I was trying to understand the conformational change in the presence of DNA. When I run the program with protein and DNA or DNA alone I get "ERROR 148 Amount of residues (28) is different to amount of centroids (26), please check your input PDB file for non-standard residues or duplicated CA or C1' atoms."
I have tried to alter my PDB file in order to better model how the DNA should bind but I still run into the same error but with different residue and centroid values
I was just wondering if anyone could help me understand where I am going wrong.
Thanks :)

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AL
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NMATOR

#2 Post by AL » 2023.05.29 16:42

SREFLEX works only with proteins. For DNA please use NMATOR.

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