Re: Multiple Template Alignment Problems - MAXRES

[Alex Brown <>]

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