Hi Tim,
Thanks for your message and sorry if I wasn't clear. I don't have
neither the axis orientation nor the rotation matrix. I would like to
create them but don't know how and which program to use. Theoretically a
have to create a axis (vector) at some distance of the molecule into the
cell and give it the 4-fold propriety. Quite simple, but don't which
program to use.
Regards,
Fred
Em 12-12-2011 18:23, Tim Gruene escreveu:
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Hello Fred,
if you know the rotation matrix, you can use pdbset with its 'rotate'
keyword.
It is not clear to me whether or not you have the rotation matrix or how
you define rotation.
Cheers,
Tim
On 12/12/2011 08:49 PM, Fred wrote:
Hi List,
I would like to build an artificial tetramer from a monomer PBD file.
All that I have is the coordinates it self with CRYST/CELL information
cards. The artificial 4-fold axis has an arbitrary orientation into the
cell. I mean, its not parallel to any crystallographic axis and have to
be at a certain distance of the molecule. This sounds conceptually
simple, but I would like to do that in batch mode for hundreds of PDB's.
Could someone, please, tell me the easiest way/program to do that?
Thanks in advance,
Fred
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.10 (GNU/Linux)
Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/
iD8DBQFO5mKwUxlJ7aRr7hoRAsyuAKDfnH50sG/EuKiFz7tCzgTUtnZrdQCg3zSn
cqs8GHOu5M3JQahA/CofR1k=
=tDUj
-----END PGP SIGNATURE-----
