-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Swastik,
unless this is a structure from neutron data I recommend not to deposit hydrogen atoms at all, because their positions are calculated rather than refined. Best, Tim On 06/20/2013 11:40 AM, Swastik Phulera wrote: > Dear All, I have been working on a high resolution protein > structure using Shelx for refinement. In the PDB output by Shelxl > the hydrogen atom names are in duplicate which is causing > difficulty in PDB deposition. I am aware of the use of shelxpro's B > option to prepare for pdb deposition, it unfortunately it does not > save the H atoms. Is any one here aware of a way to save Hydrogen > atoms correctly such that the prepared pdb file could be > successfully submitted to PDB with the Hydrogens intact. > > Swastik > - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFRwv9yUxlJ7aRr7hoRAgbZAJkB/tSotvx1H0MQi0IFCFiYu8or5gCeI/I1 FAxA5NNhAGH9ZU5PqP93ULs= =YBLY -----END PGP SIGNATURE-----
