Dear friends,
if the data is of high enough resolution, wouldn't be more reasonable to
attempt anisotropic refinement (constrained with TLS or refining
individual anisotropic ADP), or mixed one - some atoms are isotropic and
some anisotropic, rather than struggle with file conversions and getting
rid of ANISOU in order to remove escape the reality? -:)
There is a bunch of programs out there that can do it for you!
Cheers,
Pavel.
On 3/15/09 10:55 PM, Tim Fenn wrote:
On Mon, 16 Mar 2009 11:01:34 +0800
Sheng Li <biol...@gmail.com> wrote:
Please read the coordinate file with alwyn's O, and then save it to
another file. The ANISOU lines will be removed.
only if you use s_a_i - pdb_read will preserve ANISOU.
It might be easier to just grep them out:
grep -v "^ANISOU" foo.pdb > bar.pdb
-Tim
