Hi.
Thanks for the reply. However, the error remains - MAXRES now needs to be increased to 51 ! I have a feeling this could go on forever.
I did some work on this last night, and the following script worked:
SET OUTPUT_CONTROL = 1 1 1 1 1 READ_MODEL FILE = '1hms' SEQUENCE_TO_ALI ATOM_FILES = '1hms', ALIGN_CODES = '1hms' READ_MODEL FILE = '1lid' SEQUENCE_TO_ALI ADD_SEQUENCE = on, ATOM_FILES = ATOM_FILES '1lid', ALIGN_CODES = ALIGN_CODES '1lid' MALIGN3D SET ADD_SEQUENCE = on, ALIGN_BLOCK = NUMB_OF_SEQUENCES READ_ALIGNMENT FILE = 'blbp.seq', ALIGN_CODES = ALIGN_CODES 'blbp' ALIGN2D WRITE_ALIGNMENT FILE = 'blbp-1hms-1fdqA.ali', ALIGNMENT_FORMAT = 'PIR' WRITE_ALIGNMENT FILE = 'blbp-1hms-1fdqA.pap', ALIGNMENT_FORMAT = 'PAP'
I got some inspiration for this from the manual: the second example script for ALIGN3D.
Cheers,
Alex.
On Wednesday, October 2, 2002, at 05:08 pm, Bozidar Yerkovich wrote:
> In your top file add: > SET MAXRES = 50 > > Bozidar > >