Re: [ccp4bb] Superdex vs Sephadex

2015-05-15 Thread Zhijie Li
Hi Ivan, In simple words: superdex is a few generations newer than sephadex. Main difference: superdex is a physically and chemically, tougher medium. Among all GE healthcare beads (or the ones I know of), superdex offers the best resolution and mechanical strength (thus higher flow rate, very

[ccp4bb] Superdex vs Sephadex

2015-05-15 Thread xaravich ivan
Hi fabulous cc4bbs, I had recently asked you about using HPLC or FPLC for protein purification.Now I have another question relating to that. I am trying to buy a new SEC column for the FPLC for protein purification but am getting some resistance from some experienced people in the lab who have now

Re: [ccp4bb] Two kinds of solvent-accessible-surface ?

2015-05-15 Thread Edward A. Berry
Thanks! guess I had it backwards. eab On 05/15/2015 03:19 PM, Yong Wang wrote: Pymol should draw the molecular surface (or Connolly surface) by default. If you want the solvent accessible surface, turn on the option "solvent accessible" under Setting/Surface. Yong -Original Message-

Re: [ccp4bb] Two kinds of solvent-accessible-surface ?

2015-05-15 Thread Yong Wang
Pymol should draw the molecular surface (or Connolly surface) by default. If you want the solvent accessible surface, turn on the option "solvent accessible" under Setting/Surface. Yong -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Edward A.

[ccp4bb] Two kinds of solvent-accessible-surface ?

2015-05-15 Thread Edward A. Berry
If I remember correctly, there are two different ways to calculate a surface by rolling a ball over it, and i think that I want a program to calculate the non-conventional one. As I understand, the ASA is defined as the surface traced out by the _center_ of the rolling sphere, i.e. one radius

Re: [ccp4bb] CCP4 and Coot Interface can not maximized to full screen on Macbookpro Yosemite

2015-05-15 Thread William G. Scott
Glad it works! It sounds like they finally fixed an X11 bug that has been quite problematic these last few years. Bill William G. Scott http://scottlab.ucsc.edu/~wgscott > On May 14, 2015, at 9:06 PM, Xiao Lei wrote: > > Dear William, > > I installed the X11 2.7.8_rc1 as you suggested, it

Re: [ccp4bb] how to properly remove balbes from ccp4i installation?

2015-05-15 Thread Murpholino Peligro
thanks. :-] 2015-05-15 12:20 GMT-05:00 Marcin Wojdyr : > Hi Murpholino > > On Wed, May 13, 2015 at 07:30:06PM -0500, Murpholino Peligro wrote: > > and ubuntu/windows7 dual setup). So B and I were trying to make some > > space...by deleting the 3GB Balbes folder (sudo rm -rf > > /usr/local/bin/BAL

Re: [ccp4bb] how to actively assign H to N of His

2015-05-15 Thread Pavel Afonine
"phenix.reduce -HIS model.pdb" should do it. Use "phenix.reduce -h" to see more options. Pavel On Fri, May 15, 2015 at 5:54 AM, Smith Liu wrote: > Dear All, > > After CCP4 or phenix refinement, I find the H position of N in specific > His residues needs to be regularized based on the function o

Re: [ccp4bb] how to properly remove balbes from ccp4i installation?

2015-05-15 Thread Marcin Wojdyr
Hi Murpholino On Wed, May 13, 2015 at 07:30:06PM -0500, Murpholino Peligro wrote: > and ubuntu/windows7 dual setup). So B and I were trying to make some > space...by deleting the 3GB Balbes folder (sudo rm -rf > /usr/local/bin/BALBES). > > Is that the "best" way of removing BALBES? Yes, that's a

Re: [ccp4bb] 3D printing format

2015-05-15 Thread Simon Kolstoe
If it helps an academic colleague of mine has been developing hi-res full-colour 3D printed molecule models for the last 6 months or so and is very happy to help design and make any molecules of interest. These can include mini-magnets to click pieces together (ligand binding etc). I’ve included

[ccp4bb] how to actively assign H to N of His

2015-05-15 Thread Smith Liu
Dear All, After CCP4 or phenix refinement, I find the H position of N in specific His residues needs to be regularized based on the function of that His. Will you please advise on how to actively assign H to one or two of the 2 N in the His residue in the PDB file? Or do we have a server, whi

Re: [ccp4bb] 3D printing format

2015-05-15 Thread Christine Zardecki
The NIH 3D Print Exchange (http://3dprint.nih.gov/) has a collection of files for 3D printing, and can generate files based on PDB ID. Christine -- Twitter: http://twitter.com/#!/buildmodels Facebook: http://

[ccp4bb] CCP4-6.5 Update 009

2015-05-15 Thread Charles Ballard
Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * ARP/wARP (all platforms excluding windows) - activation of postinstall script for standalone arp/warp * crank2 (all platforms) - several bugfixes - javascript output * jsrview (all

[ccp4bb] PhD position in membrane protein crystallography

2015-05-15 Thread Konstantinos Beis
Dear All, I have a fully funded PhD position to start on October 2015. The PhD will take place at the Research Complex Harwell and Membrane Protein Lab at Diamond Light Source, Oxfordshire. The project is the functional and structural characterisation of a membrane protein from S. aureus. More

[ccp4bb] [OT]: Akta system "fill port INV-907" alternative

2015-05-15 Thread Sebastiano Pasqualato
Hi all, sorry for the off-topic question, but I was wondering if any of you bought and uses happily a “fill port” for the Akta systems which is not the “fill port, INV-907” from GE Healthcare (http://www.gelifesciences.com/webapp/wcs/stores/servlet/productById/en/GELifeSciences-it/18112766