I'm trying to align the structures that modeller produces by using the following top script:
SET ATOM_FILES = 'hp2y1.B99990001' 'hp2y1.B99990002' 'hp2y1.B99990003' ;
'hp2y1.B99990004' 'hp2y1.B99990005' SET WRITE_FIT = on SET MAXRES = 2000 MALIGN3D
Modeller gives an error: malign3_327W> Only one structure; nothing done.
How can I tell modeller to align the structures even if they are the same? Thanks, Dan
-- Dan Thomas Major (at Dr. B. Fischer's lab) Bar-Ilan University Ramat-Gan, Israel
Dan,
you need to use the SEQUENCE_TO_ALI command first, to copy the models' sequences and coordinates into the memory. Check the manual for explanation and example under sequence_to_ali ( and compare_alignments).
The fact, that you have identical sequences in your models, should not have any effect on the structural alignment.
Andras
Dan Thomas Major wrote: > > I'm trying to align the structures that modeller produces by using the > following top script: > > SET ATOM_FILES = 'hp2y1.B99990001' 'hp2y1.B99990002' 'hp2y1.B99990003' ; > 'hp2y1.B99990004' 'hp2y1.B99990005' > SET WRITE_FIT = on > SET MAXRES = 2000 > MALIGN3D > > Modeller gives an error: > malign3_327W> Only one structure; nothing done. > > How can I tell modeller to align the structures even if they are the same? > Thanks, Dan > > -- > Dan Thomas Major (at Dr. B. Fischer's lab) > Bar-Ilan University > Ramat-Gan, Israel > >
participants (2)
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Andras Fiser
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Dan Thomas Major