Re: [ccp4bb] coot crashes

Goettingen GPG Key ID = A46BEE1A On Mon, 2 Mar 2009, Vellieux Frederic wrote: Hello all, Until now I was using coot on my Linux box without problems. Now I have a new structure (molecular replacement) that I try to mutate to the correct sequence. Coot crashes with the following error

[ccp4bb] looking for a program

Dear Colleagues, I am looking for a program (if there is one...) that would allow to list all interactions at a dimer interface (polar, ie hydrogen bonds and salt bridges, and non polar). Thanks in advance for your replies. Best regards, Fred. begin:vcard fn:Fred. Vellieux (Ph.D

Re: [ccp4bb] crystal size

success with additive screens in increasing crystal size and what were they? Any advice would be useful thanks Vince begin:vcard fn:Fred. Vellieux (Ph.D) n:Vellieux (Ph.D);Fred. email;internet:[EMAIL PROTECTED] tel;work:+33 438789605 version:2.1 end:vcard

Re: [ccp4bb] Problem with coot

inserted residues at the end of the PDB, so you miss it's there already. HTH, Mark. On 30 May 2008, at 09:33, Vellieux Frederic wrote: Dear All, I haven't subscribed to the coot bb and hence thought I could get an answer from this bb. We cannot use the option Add Terminal Residue for the very

[ccp4bb] looking for software

Dear all, I am looking for some software (computer program) that would take a full PDB file (including waters) and that would output a list of the water networks (including the names of the atoms) at the surface of a protein. Thank you in advance, Fred. begin:vcard fn:Fred. Vellieux (Ph.D

Re: [ccp4bb] heavy atom derivative(s) for tutorial

PROTECTED] mailto:[EMAIL PROTECTED] begin:vcard fn:Fred. Vellieux (Ph.D) n:Vellieux (Ph.D);Fred. email;internet:[EMAIL PROTECTED] tel;work:+33 438789605 version:2.1 end:vcard

[ccp4bb] Procheck, MolProbity

% of the residues in disallowed regions of the plot. I know this is high, otherwise the geometry is well defined. Thank you for your input regarding this query. Best, Fred. begin:vcard fn:Fred. Vellieux (Ph.D) n:Vellieux (Ph.D);Fred. email;internet:[EMAIL PROTECTED] tel;work:+33 438789605 version

[ccp4bb] wich program to test an alternative phaser solution

Dear all, We have a phaser output with 2 alternative solutions. Not differing much by the statistics. Phaser provides the solution with the highest LLG. However I am not convinced by that solution. What program should be used with the input PDB and the Euler angles and translation

[ccp4bb] Coot for Fedora Core 8?

hi, The subject tells it all. Is there somewhere a version of Coot that is suitable for Fedora Core 8? Thanks in advance, Fred.

Re: [ccp4bb] Highest shell standards

plus non random phases (both from map inversion of averaged maps) lead to better electron density maps. Fred. -- Fred. Vellieux, esq. = IBS J.-P. Ebel CEA CNRS UJF / LBM 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: (+33) (0) 438789605 Fax: (+33

Re: [ccp4bb] CNS v1.2 and unwanted introduction of OXT

). So if there are other suggestions to solve this br of a problem, they are most welcome! Fred. -- Fred. Vellieux, esq. = IBS J.-P. Ebel CEA CNRS UJF / LBM 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: (+33) (0) 438789605 Fax: (+33) (0

Re: [ccp4bb] CNS v1.2 and unwanted introduction of OXT

On Mon, 5 Mar 2007, Fred. Vellieux wrote: Hi James, I tried to increase the parameter value to 3.0 A. The resulting file gives the same behaviour (and the newly introduced OXTs are within 0.05 A of the N atom of the following residue) so I think the distances are reasonable. So

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