[ccp4bb] bit off topic

Hi CCP4ers, Is there any place from where I could download .pdb files of LPS lipid A from different bactiria? Thanks a lot in advanced. regards, Ariel

Re: [ccp4bb] differences Rfactor calculations

Thanks a lot for all the quick replays to my post. It seems to be a controversial topic. Bellow are to replays which more or less summarize the answers to my post. Cheers, Ariel On Wed, 2010-07-14 at 07:44 -0500, Eleanor Dodson wrote: > Everything said is true, but one of the most important fac

[ccp4bb] differences Rfactor calculations

Hi CCP4ers, Is there any differences in the way of calculating the Rfactor between PHENIX.refine and other programs implemented in CCP4i, like Refmac5 or sfcheck, or the EDS server? I asking this because I have a structure solved at 1.4 Å resolution. Phenix,refine was used for its refinement and

[ccp4bb] Kabat antibody numbering

Hi there CCP4ers, I need to number a PDB file following the Kabat numbering. Is there any script to do this numbering automatically? Thanks a lot in advanced. Best, Ariel -- * Ariel Talavera Pérez, PhD Nanobiology Group Center of Molecular

[ccp4bb] naming convention for the guanidine group of Arginine

)? Thanks in advanced Best, Ariel -- * Ariel Talavera Pérez, PhD Center of Molecular Immunology calle 216 esq. A 15, Atabey, Playa Havana 11600, CUBA tel: (53-7) 271 7933, ext. 221 fax: (53-7) 272 0644 email: talav...@cim.sld.cu *

[ccp4bb] scala statistics and reindexing

need to sacale de data again in P212121? Thanks in advaced, Best, Ariel -- * Ariel Talavera Pérez, PhD Center of Molecular Immunology calle 216 esq. A 15, Atabey, Playa Havana 11600, CUBA tel: (53-7) 271 7933, ext. 221 fax: (53-7) 272 0644 email

[ccp4bb] pointless, hi and low resolution

refinement space group? Thanks a lot in advanced. Best, Ariel -- * Ariel Talavera Pérez, PhD Center of Molecular Immunology calle 216 esq. A 15, Atabey, Playa Havana 11600, CUBA tel: (53-7) 271 7933, ext. 221 fax: (53-7) 272 0644 email: talav

[ccp4bb] Coot

Hi everybody, I know this is not the coot discussion list but right now I have technical problems with the Internet connection and I could not subscribe it. Here comes my problem. I just installed in a new computer the last distribution package of CCP4 with Coot included. After installation th

[ccp4bb] sfcheck output file and rscc

e rscc I am looking for. Best, Ariel. -- Ariel Talavera, Lic. Dept. of Computational and Structural Biology Center of Molecular Immunology P.O.Box 16040, Havana 11600 Cuba tel: (53-7) 271 7933, ext. 219 fax: (53-7) 272 0644 email: [EMAIL PROTECTED]

[ccp4bb] carrection, rscc

Hi again, I am trying to calculate the rscc of the model to the electron density map. Any help will be appreciated. Thanks, Ariel -- Ariel Talavera, Lic. Dept. of Computational and Structural Biology Center of Molecular Immunology P.O.Box 16040, Havana 11600 Cuba tel: (53-7) 271 7933, ext

[ccp4bb] rcss, how to

Hi every one, Please, I need help to calculate the rcss. Thnaks in advanced, Ariel -- Ariel Talavera, Lic. Dept. of Computational and Structural Biology Center of Molecular Immunology P.O.Box 16040, Havana 11600 Cuba tel: (53-7) 271 7933, ext. 219 fax: (53-7) 272 0644 email: [EMAIL PROTECTED]

[ccp4bb] Resuming creat 3D small molecules

/coot/user-manual.html#SEC112 Best, Ariel Ariel Talavera wrote: Hi all, I need to create the coordinates of a small molecule with no structure yet. Could any one tell me what program can I use to build small molecules? Thanks in advamced. Ariel -- Ariel Talavera, Lic. Dept. of

[ccp4bb] creat 3D small molecules

Hi all, I need to create the coordinates of a small molecule with no structure yet. Could any one tell me what program can I use to build small molecules? Thanks in advamced. Ariel -- Ariel Talavera, Lic. Dept. of Computational and Structural Biology Center of Molecular Immunology P.O.Box

[ccp4bb] average B and TLS

ge B factor is now 24 Ų what seems ok, but I did this blindly and I am afraid I am doing something wrong by over doing the TLS refinement or whatever. Any help will be more than appreciated. Thanks a lot in advanced. Best regards, Ariel -- Ariel Talavera, Lic. Dept. of Computational and Struct