[ccp4bb] Postdoctoral vacancy in YSBL York

There is a vacancy for a postdoctoral research assistant in my group in the YSBL in York. For further details please see: http://www.york.ac.uk/univ/mis/cfm/vacancies/vac_detail.cfm? vacno=BR07286&mode=standard I am away until 15th August. Please contact Caroline Myers ([EMAIL PROTECTED])

Re: [ccp4bb] advice for crystallizing hydrophobic small molecules

Anthony had given some good advice. In addition, Any organic solvent may be helpful. We often use methanol and chloroform. = 2007-7-19 6:12, your message: Re: [ccp4bb] advice for crystallizing hydrophobic small molecules= Hi Todd I have worked in the past wi

Re: [ccp4bb] advice for crystallizing hydrophobic small molecules

Hi Todd I have worked in the past with crystallization of dozens of small molecules, several of them steroids which are hydrophobic. What I did was, first get the small molecule into the solution. The solvent can be dimethyl formamide, dimethyl sulfoxide, chloroform or anything that I ca

[ccp4bb] advice for crystallizing hydrophobic small molecules

Hello all, I am asking this question for a colleague(a chemist not a crystallographer) who would like to crystallize a small molecule(for clarification this is just the small molecule not a protein complex). The compound is quite hydrophobic and is rather "greasy." He has a free alcohol which c

Re: [ccp4bb] questions about CNS

Well, I guess you can mess with the "overall B-factor correction" in the anneal.inp and rigid.inp files and say, turn them off. NOT a good way to proceed. That is just to let you know where to find it. If you haven't already done so, do the following after the simulated annealing step. After

[ccp4bb] questions about CNS

Hi everyone, I have some basic questions about CNS. First, I am wondering if there is anywhere I can set my initial B-factor during my early refinement. When I generate my initial model in generate.inp, I can set the B-factore. However, after I did the rigid.inp and anneal.inp, the B-factor just

Re: [ccp4bb] sleeping refmac

Hi Harry, Might not be the problem but does this machine have its ccp4 scratch space ($CCP4_SCR) mounted from another machine by nfs across a network? Refmac writes a lot of temporary files to CCP4_SCR and if this is across a busy network it can really slow Refmac's progress. Ronan Harry

[ccp4bb] sleeping refmac

BS"D Dear All, One our our linux boxes (kernel 2.4.20) has begun recently to run refmac at worse than snail's pace. This is a 3.2 GHz Xeon dual CPU Dell machine from 4 years ago. All other things seem fine, including other CCP programs. But refmac jobs (for various proteins) that tak

Re: [ccp4bb] Combining MR and MAD phases

1) Combine your MAD 3A phases with the 1.7A native data and use DM or Pirate to refine and extend the phase set. 2) Make sure your MR solution is on the same origin as the MAD phases. You can calculate PHIC and FOM from MR solution, combinre with the MAD phases and do an anomalous diference map,

Re: [ccp4bb] Problem in CNS refinement

Dear all, I thank each and everyone who extended his/her hands to help me regarding problem in CNS refinement. Everyone gave valuable suggestions regarding the same. I could find the problem in converting to hkl file from mtz from your suggestions. I rectified it and now it works well. Thank y

Re: [ccp4bb] Twinning in C2 ?

Dear Eleanor, many thanks for all your help and suggestions. We finally have solved the mutant structure. The trick was to use the pseudo translation (there was not any 2 fold axis in the self rotation) with MOLREP which found two molecules and then applied the pseudo translation to provide us