Hi, Is there a tool which can calculate C-beta RMSD for equivalent amino acids of homologous structures, post C-alpha superposition? Sorry if its off topic, Thanks, Kaushik -- Stupidity is everyone’s birthright. However, only the learned exercise it! --Kaushik (28Oct2014)
Hi Kaushik, it is not off-topic. I'm not aware of such a tool in Phenix. We have all components in CCTBX to enable this kind of calculation but I afraid some one needs to spend a day or two to actually put them together into an end-user tool.. Pavel
Hi,
Is there a tool which can calculate C-beta RMSD for equivalent amino acids of homologous structures, post C-alpha superposition?
Sorry if its off topic, Thanks, Kaushik
-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Kaushik, meanwhile you could use lsqman from the Uppsala Software Factory (search for 'lsqman usf'). It should do it. Best, Tim On 06/26/2015 07:07 PM, Pavel Afonine wrote:
Hi Kaushik,
it is not off-topic. I'm not aware of such a tool in Phenix. We have all components in CCTBX to enable this kind of calculation but I afraid some one needs to spend a day or two to actually put them together into an end-user tool..
Pavel
Hi,
Is there a tool which can calculate C-beta RMSD for equivalent amino acids of homologous structures, post C-alpha superposition?
Sorry if its off topic, Thanks, Kaushik
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- -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 iD8DBQFVlTI1UxlJ7aRr7hoRAunlAKCUtQ7JCnYRFpNmAXCq7OrR5GpYEACfZ9u8 meosGWARplYQ13CKycW8oI4= =o8aj -----END PGP SIGNATURE-----
participants (3)
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Kaushik Hatti -
Pavel Afonine -
Tim Gruene