Hello all-
I'm trying to run malign3d to align multiple models but the routine only 'sees' the first structure and does nothing. I'm using the malign3d.top file format described in the Sanchez and Sali 2000 Methods in Molecular Biology article:
SET OUTPUT_CONTROL = 1 1 1 1 2 SET MAXRES = 700 SET ATOM_FILES = 'atip.B99990001' 'atip.B99990002' ; 'atip.B99990003' 'atip.B99990004' 'atip.B99990005' SET WRITE_FIT = on MALIGN3D
All the atip.Bxxxx files contain a reasonable structure. Running the malign3d.top routine shown above fails to produce any .fit files and shows the following error:
openf5__224_> Open 11 OLD SEQUENTIAL atip.B99990001 malign3_327W> Only one structure; nothing done.
Would anyone be able to advise me on what I'm missing here or doing wrong?
Thanks in advance-
Mark Daniels The Scripps Research Institute