Re: [ccp4bb] new ContaMiner features

Dear Radu, here's an example from 11 years ago. https://www.ncbi.nlm.nih.gov/pubmed/16929094 ContaMiner would have been useful here in that it would terminated the crystallographic endeavour earlier (In this case, however, serendipitous crystallization and structure solution of the trace cont

[ccp4bb] Fwd: [ccp4bb] B-factor blurring

My sincere thanks to all who are responding to my request below. To be explicit, my question relates to B-factor blurring (+B correction), not to B-factor sharpening (-B correction). thanks Mike Begin forwarded message: > From: Mike Lawrence > Subject: [ccp4bb] B-factor blurring

[ccp4bb] B-factor blurring

were any alternative references? with many thanks! Mike Mike Lawrence, PhD Associate Professor and WEHI Fellow Structural Biology Division Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3052, AUSTRALIA Tel. 61-3-9345-2693 Fax 61-3-9345-2686 Email

Re: [ccp4bb] how to cut back resolution of a well-refined model

eak for themselves! with best wishes Mike Lawrence Associate Professor and WEHI Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3052, AUSTRALIA On 11/10/2013, at 9:44 AM, Jim Pflugrath wrote: > Please tel

Re: [ccp4bb] shape complimentarity for small molecule

be reduced in order to allow interrogation of a large percentage of the solvent inaccesible surface. If you try this, please let me know how well it works. sincerely Mike Lawrence, PhD Associate Professor and WEHI Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical

[ccp4bb] Off topic: 3D printing of protein models

consumables are not that cheap). sincerely Mike Lawrence Associate Professor and WEHI Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3052, AUSTRALIA Tel. 61-3-9345-2693 Fax 61-3-9345-2686 Email: lawre...@wehi.edu.au

Re: [ccp4bb] shape complementarity

s thus computed across only that part of the buried surface that might be expected to be shape complementarity, which makes it somewhat ill-suited to smaller interfaces. All these details are in the JMB paper, which, unfortunately, there is no substitute for reading :-) sincerely Mike Mik

Re: [ccp4bb] Help me install O on ubuntu11.10

Try sudo apt-get install ia32-libs lib32gfortran3 to install the required 32 bit libraries On 26/12/2011, at 9:53 PM, 王瑞 wrote: > Excuse me, could anyone can tell me how to install O on ubuntu11.10 ?Thanks a > lot ! __

Re: [ccp4bb] Sc calculation

e log file states, Sc is then not a very good measure of complementarity. sincerely Mike Lawrence > Hello :) > > I am trying to find the shape complementarity of two structures. both of > them are two layer of betasheet, that I have excluded hydrogens. in one of > them (old.pdb, attached

Re: [ccp4bb] Surface complementary output

, and finally gives Sc. best wishes Mike Lawrence On 20/06/2011, at 11:28 AM, Rojan Shrestha wrote: > Hello, > > > > Does somebody know the meaning of output of SC? > > > > What is the meaning of From and To in “Distance between surfaces”? >

Re: [ccp4bb] measuring shape complementarity

Dear Mohd, CCP4 contains a program SC which does the job. sincerely Mike Lawrence, PhD Associate Professor and WEHI Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3052, AUSTRALIA Tel. 61-3-9345-2693 Fax 61-3-9345

Re: [ccp4bb] SC

you cannot find it within the Windows version - it should simply be called "SC". sincerely Mike Mike Lawrence, PhD Associate Professor and WEHI Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3052, AUSTRALIA

Re: [ccp4bb] shape complementarity

Hi Reiner I haven't seen this problem before; if you send me all the relevant files I will try to check it out. It may relate to the fact that the GRASP files were made with Chimera. sincerely Mike Lawrence > Hello everybody, > > I recently tried to feed the shape complementari

Re: [ccp4bb] shape complementarity calculations

Hi Vaheh I have not had anyone report problems with sc of late. If you send me the relevant files or output I can check it out for you. sincerely Mike Lawrence, PhD WEHI Principal Research Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal

[ccp4bb] Post-doctoral Position at WEHI, Melbourne, AUSTRALIA

An attractive post-doctoral position is available within the laboratory of Dr Mike Lawrence and Dr Colin Ward in the Structural Biology Division of the Walter and Eliza Hall Institute of Medical Research (WEHI) in Melbourne, Australia. The position is available immediately and is for two

Re: [ccp4bb] 3D model in glass

use a second color if you want them to map that to a different dot density of laser etching. cheers Mike Lawrence, PhD WEHI Principal Research Fellow Division of Structural Biology Walter and Eliza Hall Institute of Medical Research 1G Royal Parade, Parkville Victoria 3050, AUSTRALIA Tel. 61

Re: [ccp4bb] Surface complementarity

Hi Peter The last input command for SC is the standard CCP4 END statement. For some reason or other this seems to have slipped thru both the writeup and the example file !! Let me know if that doesn't fix it. cheers Dr Mike Lawrence Head: X-ray Crystallography CSIRO Molecular and H