Re: [ccp4bb] Protein + DNA volume calculation (solved)

2010-08-05 Thread vincent Chaptal
I got VOIDOO to work by editing the library file, mine was only reading protein. To make it read the bases, I added this lines to the file: RESI 'THR' (example) RESI ' DA' RESI ' DT' RESI ' DC' RESI ' DG' Thank you Eric for the web site. vincent Eric Pettersen wrote: Hi, I would like to mea

Re: [ccp4bb] Protein + DNA volume calculation

2010-08-05 Thread Eric Pettersen
Hi, I would like to measure the volume of a protein-DNA complex. I'm using VOIDOO but it only gives me the volume of the protein. Does anybody know of a software that allows calculation of DNA volume too? The StrucTools server (http://helixweb.nih.gov/structbio/basic.html) can calculate the

[ccp4bb] Protein + DNA volume calculation

2010-08-05 Thread vincent Chaptal
Hi, I would like to measure the volume of a protein-DNA complex. I'm using VOIDOO but it only gives me the volume of the protein. Does anybody know of a software that allows calculation of DNA volume too? thanks a lot vincent -- Vincent Chaptal Dept. of Physiology at UCLA http://www.physiology

[ccp4bb] Post-doctoral Position in Membrane Protein Crystallography

2010-08-05 Thread John K Lee
The Stroud Lab at UCSF (http://www.msg.ucsf.edu/stroud/index.htm) is looking to fill a post-doctoral position in membrane protein crystallography. Applicants should have background in biochemistry, molecular biology, and/or crystallography. The position in membrane proteins will be in close a

Re: [ccp4bb] Fwd: [ccp4bb] XSCALE

2010-08-05 Thread Daniel Picot
Another very nice script to run and collect statistics from XDS is xdsme from Pierre Legrand http://code.google.com/p/xdsme/ Daniel Le 05/08/2010 16:55, Jovine Luca a écrit : WRT the redundancy, I am afraid you have to recompute an approximate value yourself using the number of observation

[ccp4bb] Handy shortcuts to information on the PDBe website

2010-08-05 Thread Gerard DVD Kleywegt
As part of the recent Midsummer Make-over of the Protein Data Bank in Europe (PDBe) website, we acquired the domain name pdbe.org and have used it to implement a number of shortcuts to many of our services etc. - http://pdbe.org/ - the new PDBe website - http://pdbe.org/1cbs - go directly to t

[ccp4bb] Fwd: [ccp4bb] XSCALE (II)

2010-08-05 Thread Jovine Luca
Apologies for the repetition, but only the first link: http://cc.oulu.fi/~pkursula/xdsi.html is for the xdspub program that produces the output I attached. The other one has the same name, but does something else! Luca

[ccp4bb] Fwd: [ccp4bb] XSCALE

2010-08-05 Thread Jovine Luca
> WRT the redundancy, I am afraid you have to recompute an approximate value > yourself using the number of observations and number of unique reflections > (this is what I do all the time). I suppose one could always write a jiffy > program to compute the correct values using both files INTEGRA

[ccp4bb] Postdoctoral Position in Membrane Protein Crystallography

2010-08-05 Thread Jochen Zimmer
Postdoctoral Position in Membrane Protein Crystallography A postdoctoral position in membrane protein crystallography is available at the Center of Membrane Biology at the University of Virginia. The position is available in the laboratory of Dr. Jochen Zimmer who studies the membrane transloc

Re: [ccp4bb] XSCALE

2010-08-05 Thread Vellieux Frederic
anna delprato wrote: Hello All; I've just started using XDS and have scaled three data sets from the same crystal - unmerged. It was a SAD experiment My question is concerning which R values to use as data processing statistics. I don't find any Rsymm or even Redundancy values in the LP fi

Re: [ccp4bb] XSCALE

2010-08-05 Thread Graeme Winter
Dear Anna, Something I find useful is to convert the output of XSCALE (unmerged) to MTZ format using pointless (pointless -c xdsin SCALED.XDS hklout sorted.mtz) then to merge the reflections with Scala: scala hklin sorted.mtz hklout scaled.mtz << eof run 1 all scales constant anomalous on # or of

[ccp4bb] XSCALE

2010-08-05 Thread anna delprato
Hello All; I've just started using XDS and have scaled three data sets from the same crystal - unmerged. It was a SAD experiment My question is concerning which R values to use as data processing statistics.  I don't find any Rsymm or even Redundancy values in the LP files. I came across an ex

[ccp4bb] FW: [ccp4bb]

2010-08-05 Thread Herman . Schreuder
Dear Changyi, If refmac distorts the ring to fit INTO the density, the first question I would ask myself is whether the sugar ring has been fitted correctly. Sugars can be a pain in the neck with different puckers, chair/boat conformations, different anomers etc. If the sugar is somewhat disorder

[ccp4bb]

2010-08-05 Thread Herman . Schreuder
Dear Changyi, If refmac distorts the ring to fit INTO the density, the first question I would ask myself is whether the sugar ring has been fitted correctly. Sugars can be a pain in the neck with different puckers, chair/boat conformations, different anomers etc. If the sugar is somewhat disorder

Re: [ccp4bb] data & contrast

2010-08-05 Thread Eleanor Dodson
Seema Nath wrote: I've got a data at 3.7 angstrom resolution,P3 space group but smallest cell volume as predicted by marIndex is very large in comparison to the 90 residue small protein & I'm supposed to solve it using auto-MR and CNS, now when I'm using auto-MR to search CRF & TF peaks with lo

[ccp4bb] Fwd: molecule name from pdb id and chain identifier

2010-08-05 Thread Sudharsan Sridharan
Apologies if this has been posted already but I couldn't see it yet! Hi, Sorry for the off topic question! I'm looking at Dali search results and find the molecule names are not always the same as the ones for the chain identifier from the pdb entry (maybe the molecule names are always of chain