Re: [ccp4bb] just out of totally idle curiosity ...

2016-11-08 Thread Regina Kettering
How is the UK, even with Brexit?  Regina Kettering, Ph.D. Biological Sciences University of Pittsburgh Pittsburgh, PA 15260 On Wednesday, November 9, 2016 1:07 AM, Edward A. Berry <ber...@upstate.edu> wrote: What about China? Singapore? On 11/09/2016 12:45 AM, Tom Peat wrot

Re: [ccp4bb] Problems with CCP4MG

2012-07-06 Thread Regina Kettering
. Thank you for the help. Regina From: Stuart McNicholas stuartmcnicho...@googlemail.com To: Regina Kettering reginaketter...@yahoo.com Cc: CCP4BB@JISCMAIL.AC.UK Sent: Friday, July 6, 2012 3:33 AM Subject: Re: [ccp4bb] Problems with CCP4MG Dear Regina, On 5

[ccp4bb] Problems with CCP4MG

2012-07-05 Thread Regina Kettering
Dear All; I have two problems with the visualization program that I am hoping people can help me with: 1) I downloaded a model from the Swiss-Model repository that I have been trying to open on CCP4MG version 2.4.2.  I have it saved as a .pdb file but when it loads, CCP4MG hangs and appears to

Re: [ccp4bb] sudden drop in R/Rfree

2012-03-02 Thread Regina Kettering
Rajesh; I am not sure that you have a high enough data:refinement parameters ratio to refine TLS.  It just adds more parameters to refine that can lead to over-refinement of your model, especially at the 3.3 A.  HTH, Regina From: Rajesh kumar

Re: [ccp4bb] Crystallization robot and trypsin

2012-01-24 Thread Regina Kettering
We have a Honeybee system but do not usually use proteases.  The biggest problem we have found is that if anything precipitates in the tips they have to be washed very well, usually with water or ethanol.  The ceramic tip can be washed using low concentrations of HCl (0.1M), which I believe

Re: [ccp4bb] (off-topic) Measurement of channel pore dimensions

2011-03-23 Thread Regina Kettering
Bert; I have found the online gui 3V to be very useful in calculating channel dimensions. It outputs the volume and surface area of the pore, along with a surface representation that can be visualized in Chimera or PyMOL. You can either specify a specific pore or search for pores within a

[ccp4bb] ccp4MG quits - mac

2010-07-01 Thread Regina Kettering
disulfide bridges. I do not have a video card with extra processing power, but my computer is less than a year old, so the problems are unexpected. Is this a known bug, or is there a way to avoid this problem (other than using, say, Pymol)? Thanks, Regina Kettering

Re: [ccp4bb] unable to fly? - Pittsburgh

2010-04-19 Thread Regina Kettering
I would like to extend this to Pittsburgh as well. We are in Eastern Pittsburgh, available by bus or taxi to Pittsburgh International Airport. We have wireless internet but not much apartment space. If you are stuck in Pittsburgh, please send me an email to make arrangements. Regina -

[ccp4bb] ccp4 vs. phenix special position atoms

2010-03-23 Thread Regina Kettering
). However, I have not been able to determine whether PHENIX uses this same convention (except that refinement will fail if the special position atoms are not a separate group in refinement). My refinement uses PHENIX TLS, so I would rather continue using PHENIX. Thanks in advance. Regina Kettering

[ccp4bb] Coot segmentation fault

2010-01-15 Thread Regina Kettering
. Does anyone have any suggestions as to what it may be or should I try installing a newer version? Thanks, Regina Kettering University of Pittsburgh

Re: [ccp4bb] Protein Protein interactions

2009-08-17 Thread Regina Kettering
CCP4 has a program called contact where you can specify the chains, distances and atoms you want to explore for contacts and it will give a list of all contacts that fit that criteria, along with the distance. It works best if you already have an idea for which chain interfaces you want to

Re: [ccp4bb] HKL2000 on mack book

2009-08-13 Thread Regina Kettering
If you have a spare monitor you can always set up your macbook to use multiple screens. Once connecting your spare, go into system preferences, displays, and there you can manipulate the screens to be side-by-side. Regina --- On Wed, 8/12/09, Putcha, Balananda Dhurjati Kumar bput...@utk.edu