[ccp4bb] A new detector for my HKL2000 package

2013-04-24 Thread Xuan Yang
Dear all, I have collected a dataset on a Saturn 944HG CCD detector, and I want to process the data on HKL2000. The detector is not found in the list of the HKL2000 pop-up window in the beginning, what should I do to make the HKL2000 package recognize my dataset? I'm a computer dummy, so would

[ccp4bb] Problem with RCrane in coot-0.7

2013-04-24 Thread Jiawei Wang
Hi, CCP4bbers: Did anybody here use the COOT plug-in RCrane? I download the COOT version 0.7 (coot-Linux-x86_64-centos-6-gtk2-python), and use the plug-in RCrane. However, after I optimized the rotamers, the RCrane window did not show any selectable rotamers (See the attached figure). BTW,

Re: [ccp4bb] Problem with RCrane in coot-0.7

2013-04-24 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Jiawei Wang, a collegue of mine has been working on a different plugin for coot and observed the same behaviour on our computer while e.g. Bernhard Lohkamp could not reproduce this behaviour. It appears to be an odd combination between the

[ccp4bb] Anomalous atom or ligand?

2013-04-24 Thread Kavyashree Manjunath
Dear users, After detecting the anomalous peaks in a data, Is it necessary that there will be an anomalous atom in most of the peaks? In a particular case, a low ranking peak was assigned an anomalous atom because it was present in the native structure, while a peak with a rank higher than this

Re: [ccp4bb] Problem with RCrane in coot-0.7

2013-04-24 Thread Paul Emsley
On 24/04/13 10:24, Jiawei Wang wrote: Hi, CCP4bbers: Did anybody here use the COOT plug-in RCrane? I download the COOT version 0.7 (coot-Linux-x86_64-centos-6-gtk2-python), and use the plug-in RCrane. However, after I optimized the rotamers, the RCrane window did not show any selectable

Re: [ccp4bb] Modelling Software for beta turn design

2013-04-24 Thread Nadir T. Mrabet
Hi Wenzong, I would certainly try it also another way. Choose you beta turn sequence. Insert it between the sequences of both beta stands and submit the whole sequence (beta-turn-beta) to homology modeling. Try every beta turn sequence to select top results. You could download MolIde

[ccp4bb] common proteins that oligomerize?

2013-04-24 Thread Richard Edward Gillilan
I am looking for easily-available proteins that exist in equilibrium between two or more known oligomeric states in solution. BSA is a possibility, but I am concerned that the rate constant for association may be rather slow. Fast exchange would be better. Does anyone know of other

Re: [ccp4bb] question about arginine sepharose 4B

2013-04-24 Thread Artem Evdokimov
Hi, You can make it :) There are a number of good ways to do so, but my favorite one is to order Cys-Arg dipeptide and then use iodoacetamide-agarose resin (very cheap) to load up the peptide. This method allows you to quantify the loading, if you care to know how much you immobilized and also

[ccp4bb] Postdoctoral positions in structure and function of membrane proteins at the NIH

2013-04-24 Thread Anirban Banerjee
Dear all, Will you please bring this to the attention of suitable candidates ? Postdoctoral positions in structure and function of membrane proteins at the NIH The research group of Dr. Anirban Banerjee at the National Institutes of Health (NIH) is seeking candidates for postdoctoral fellows

[ccp4bb] Too high function value for reflection ... refmac

2013-04-24 Thread Kavyashree Manjunath
Dear users, While refining the structure, I get a message in the log file - Too high function value for reflection 408 0 103.7139 Too high function value for reflection2766 0 110.8577 Too high function value for reflection3439 0