[ccp4bb] Molecular replacement

2007-09-20 Thread sekar
Dear All, I wanted to solve one of my new structures by molecular replacement. I got three short search motifs from three different structures available in the PDB. My question is, how do I use all the search models to solve the structure. With by best regards, Sekar (\_/) (='.'=) (

[ccp4bb] phaser ensemble xyz output

2007-09-20 Thread Bryan W. Lepore
should i take it that when given > 1 .pdb in an ensemble, phaser will output only the first member of the ensemble, and its up to the user to tranform the others? if so, i gather there are no keywords to make phaser do that automatically? -bryan

Re: [ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-20 Thread Robert Immormino
Xiaoyi, When I'm interested in dimer interfaces, or protein ligand contacts I usually use Molprobity to define the interface. http://molprobity.biochem.duke.edu/ It is a bit of a process, but here's the rundown: Load your .pdb into molprobity Add hydrogens Visualize interface contacts Then sele

Re: [ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-20 Thread Soisson, Stephen Michael
If you just want the residues involved in the interface, you can use the byres selection commands in Pymol. select contacts, (byres monA and (monB around 4)) which will show all the residues on monA that are within 4 Ang. of Mon B. Steve -Original Message- From: CCP4 bulletin board [

Re: [ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-20 Thread Nikos Pinotsis
Hi, apart from the ccp4 "contact" it's also worth checking the following servers: pisa: http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html protein-protein interaction server: http://www.biochem.ucl.ac.uk/bsm/PP/server/index.html Cheers Nikos Xiaoyi Deng wrote: > Dear all: > > I used moleman2

Re: [ccp4bb] post-doc possibility in newcastle

2007-09-20 Thread Andreas Forster
You'd need quite a large French press or meat grinder to crack the cells and get the protein. William Scott wrote: On Thu, 20 Sep 2007 17:23:05 +0100 "R. J. Lewis" <[EMAIL PROTECTED]> wrote: a large signalling complex called the 'stressosome' from B. subtilis.

[ccp4bb] How to calculate the contacts between the dimer-dimer interface

2007-09-20 Thread Xiaoyi Deng
Dear all: I used moleman2 to calculate the contacts between chain A and B. Can anyone suggest a program to calculate the contacts between the interface of dimer-dimer? Thank you, Xiaoyi Graduate student University of Nebraska Medical center

Re: [ccp4bb] post-doc possibility in newcastle

2007-09-20 Thread William Scott
On Thu, 20 Sep 2007 17:23:05 +0100 "R. J. Lewis" <[EMAIL PROTECTED]> wrote: a large signalling complex called the 'stressosome' from B. subtilis. - If you decide to go for the human form of this signalling complex, I am an over-producing strain.

[ccp4bb] post-doc possibility in newcastle

2007-09-20 Thread R. J. Lewis
Dear all There is a vacancy in my lab for a biochemist. It's a 3-year position funded by the UK BBSRC. The post is to provide a functional interpretation of our structure determination (unpublished) of a large signalling complex called the 'stressosome' from B. subtilis. Ideally, I'm looking for

Re: [ccp4bb] unsubscibe

2007-09-20 Thread William Scott
Go to the jiscmail page and follow the directions. On Thu, 20 Sep 2007 16:31:07 +0200 Anat Bashan <[EMAIL PROTECTED]> wrote: unsubscibe

[ccp4bb] unsubscibe

2007-09-20 Thread Anat Bashan
unsubscibe

Re: [ccp4bb] anisotropic scaling in refmac versions

2007-09-20 Thread Alejandro Buschiazzo
Dear Eleanor, no I was not talking about a cubic SG (in my case, as an example, it's actually orthorhombic). I think that the most likely explanation is that there was indeed a bug, at least on Refmac's version 5.3.0032 Here go some selected fragments of a 0032 log (no confusion with aniso atom

Re: [ccp4bb] anisotropic scaling in refmac versions

2007-09-20 Thread Ian Tickle
Hi I think there you're confusing overall aniso scaling of the Fcalc's to the Fobs's (normally the default) which is controlled by SCALE LSSC ANISO, and refinement of individual atomic displacement parameters controlled by REFI BREF ISOT/ANISO. In the script aniso scaling is turned on (even tho

Re: [ccp4bb] phaser and percent composition result [ part 2]

2007-09-20 Thread Randy J. Read
On Sep 18 2007, Bryan W. Lepore wrote: i wrote "(ensemble) / (sequence)" to get a percent composition i forgot to emphasize that i do not mean the Vm or the "Z" composition, but the composition as one would enter e.g. COMPosition ENSEmble mol1 FRACtional 0.22 or COMPosition SCAttering -b

Re: [ccp4bb] anisotropic scaling in refmac versions

2007-09-20 Thread Eleanor Dodson
I cant answer - but this version certainly generates anisotropic scales.. We have ccp4.6.0.2 installed) ### ### ##

Re: [ccp4bb] anisotropic scaling in refmac versions

2007-09-20 Thread Ian Tickle
I can't say because I didn't install 0037 (I went straight from 5.2.0019 to 5.3.0040 so I was blissfully unaware of the problem!). However according to the original posting it's easy to tell because if the alleged bug is present you don't see the overall Bij terms in the output PDB file. HTH