I have a protein-DNA complex that I am trying to model fit to an X-ray scattering curve and SASREF appears to be jumbling the DNA coordinates. They read into pymol perfectly sensibly (attached), but when I run SASREF locally, the output model has completely jumbled DNA sequence. When I try to run the job in ATSAS on-line (see attached zip file), it consistently fails with the error message:
"Errors and/or warnings registered during execution:
find: `*.fit': No such file or directory that is has been unable to find a *.fit"
many thanks for your assistance in advance, jt
DNA and SASREF
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jtrewhella
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- Joined: 2016.10.27 23:51
DNA and SASREF
- Attachments
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- CZ38DNA1.zip
- failed job in atsas on-line version
- (56.93 KiB) Downloaded 207 times
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- optiX_mGCG_py.pdb
- this is the DNA coord file
- (88.2 KiB) Downloaded 229 times
Re: DNA and SASREF
Online Sasref has actually the problem with
CZ38_ZF8_ZN_KE-TG.pdb file which has a line
"HETATM 248 ZN ZN _ 1 3.166 1.522 -4.762 1.00 0.55 ZN"
The line contains a special tab character and cannot be read.
Please replace it with
"HETATM 248 ZN ZN _ 1 3.166 1.522 -4.762 1.00 0.55 ZN"
I have edited this file in CZ38DNA1 folder and restarted the job.
CZ38_ZF8_ZN_KE-TG.pdb file which has a line
"HETATM 248 ZN ZN _ 1 3.166 1.522 -4.762 1.00 0.55 ZN"
The line contains a special tab character and cannot be read.
Please replace it with
"HETATM 248 ZN ZN _ 1 3.166 1.522 -4.762 1.00 0.55 ZN"
I have edited this file in CZ38DNA1 folder and restarted the job.
Re: DNA and SASREF
As for DNA, its sequence does not change in Sasref, but both strands get the same chain id