Thanks for the many emails I have received. Particularly to Ed who wrote and posted a script to the board and other
people who offered to do it over the weekend.
I have achieved what I want with the unsupported ccp4 program compar (Plea to CCP4 support- increase the array sizes by
an order of
On Fri, 2010-04-30 at 13:35 +0100, Nicholas Keep wrote:
> If anyone has a piece of software that would do this it would be
> great.
>
How about this (this is a single line)
---
grep 'ATOM\|HETATM' file1.pdb file2.pdb |grep -v REMARK | cut -d: -f 2 |
cut -c 13-54 | sort | awk 'BEGIN {FIELDWIDTHS
I want to compare two sets of coordinates (starting and finishing models for molecular replacement) and output distances
between pairs.
Can anyone suggest a way of doing this. The atoms have the same atom names but not all atoms in the starting model are
in the final.
LSQKAB does this and ou
