[ccp4bb] HKL2MAP .sca files...

2014-04-28 Thread Harry Powell
Hi folks When I run hkl2map for SAD data using unmerged .sca files produced by Aimless, I am invariably bugged by the fact that merged .sca files (from Aimless) have the unit cell in the first few lines, but the unmerged files don't - so I have to either type in the cell dimensions or

[ccp4bb] error in starting imosflm

2014-04-28 Thread sreetama das
Dear All,    Whenever I open up imosflm GUI from the terminal, I get the following error: iMosflm version 7.1.1, 24th March 2014 ipmosflm is not compatible. Please configure iMosflm with the correct executable. clicking the Configure button at the bottom of the error message panel

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Harry Powell
Hi When you get this error, and everything has been closed, what do you get if you type (in the same terminal window that you tried to start iMosflm) - $MOSFLM_EXEC ? It's plain from the message that ipmosflm is not compatible' that iMosflm is trying to run with an

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread sreetama das
Dear Sir,   If I sorce ccp4-6.3, and then change in the bashrc file source ccp4-6.4, (and source the modified .bashrc file in either case) but don't close the previous terminal, then opening imosflm gives the aforementioned error. After closing the imosflm GUI, if I type at the

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Harry Powell
Hi Sreetama That's the problem - sourcing the old ccp4 6.3 distro has set up MOSFLM_EXEC to point to an old copy of ipmosflm that will not run with the latest iMosflm. Mosflm version 7.0.9 for Image plate and CCD data 14th May 2012 which cannot be used with iMosflm 7.1.0. So it looks

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Ian Tickle
Harry, I've run into this problem before with other programs when I switch between v6.3 v6.4. I think the problem is this code in ccp4.setup-sh: if [ `expr :${PATH}: : .*:${dir}:` -eq 0 ]; then if test $ccp4_first_in_path -eq 1; then PATH=${dir}:${PATH} else

[ccp4bb] LAST CALL -- New Schrodinger Workshop -- SBGrid/NE-CAT Computing School at Harvard

2014-04-28 Thread Michelle Ottaviano
Only a few days left to register for Quo Vadis Structural Biology 2014. We've added Phenix and Schrodinger workshops in addition to our Data Processing Computing School. Visit the SBGrid website for the complete program https://sbgrid.org/news/sbgridne-cat-computing-school. *Quo Vadis

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Sreetama, dear Ian, I avoid sourcing both version 6.3 and 6.4 in the same terminal. If I need to work with 6.3 I modify my .bashrc from 6.4 to 6.3 and then open a new terminal to make sure everything refers to v6.3 and vice versa. Best, Tim

Re: [ccp4bb] error in starting imosflm

2014-04-28 Thread David Waterman
Dear all, For experiments that involve switching between different versions of CCP4 you might like to try the CCP4Dispatchers scripts (see http://www.ccp4.ac.uk/html/CCP4Dispatchers.html). On a binary install of ccp4 6.4.0 these will have been generated automatically. For example, on my Linux

Re: [ccp4bb] [PyMOL] Farewell

2014-04-28 Thread Sampson, Jared
Jason - I’d also like to express my appreciation for all you’ve done to benefit the PyMOL community. You have, time and again, proven yourself to be an extremely responsive and helpful leader both in developing the software and in enabling others to learn to use it. Like many on these lists,

[ccp4bb] TEV protease alternatives and Proteases which leave little on new C-term

2014-04-28 Thread Keller, Jacob
Dear Crystallographers (this may be off-topic, depending on whom you ask...) A: Can anyone recommend new improved alternatives to the usual suspects for proteases (TEV, thrombin, enterokinase, etc.)? I've seen some literature about SUMO- and NEDD8-dependent enzymes, but those apparently require

Re: [ccp4bb] TEV protease alternatives and Proteases which leave little on new C-term

2014-04-28 Thread David Blum
Dear Jacob, We have been using factor XA for several years for tag removal of the proteins we express in the facility. Factor XA does not leave an overhang, cutting after an IEGR sequence. It can be quite expensive though so we are looking into methods to purify it from bovine plasma. David

[ccp4bb] Problem with Rfactor

2014-04-28 Thread Sudarshan Murthy
Dear All, I am very new to the field of crystallography, I have a few questions which are very basic and getting input from this forum would help me a lot. Firstly I am trying to solve a structure using MR Molrep. In the result the Rfactors are really high how do I reduce the same?? ..When I