[ccp4bb] disulfide bonds, SE sample, and Xray absorption edges

2008-09-25 Thread Michael Jackson
Hello,   I had recently collected and solved the phases for a protein molecule using CCP4 and the ShelXCDE SAD method in it.  What I was wondering was that the peaks for the three SE incorporated methionines are there as expected, but there is one peak scored roughly as the second largest where

[ccp4bb] PEG degradation/properties lit source

2008-10-29 Thread Michael Jackson
Hello,   I would greatly appreciate anyone who would know of a basic literature source on the properties of PEG and particularly on PEG decomposition or degradation products.  We see densities in our maps  for ethanol molecules, but our condition for the crystals do not have added ethanol. 

[ccp4bb] refmac 5.5 error with ARPwARP7.0.1

2008-12-04 Thread Michael Jackson
Hello,   I have attached a log file from a refmac refinement output that was initiated by ARPwARP (the flexwarp program in CCP4) after an initial model building was determined good.  This is the refmac model refinement when the ARPwARP program starts a separate job to refine or finalize the mode

[ccp4bb] refmac 5.5.0068 error

2008-12-09 Thread Michael Jackson
Hello,   Thank you for the reply about the refmac 5.5.0066 error. I downloaded refmac 5.5.0068 but there appears to be a problem for ARPwARP to recognise the version.  I reinstalled ARPwARP and the install shell script freezes when it looks for the refmac file.

[ccp4bb] TLS Create/Edit module error erases project folder

2009-02-06 Thread Michael Jackson
Hello,   I was using the TLS Create/Edit module to create a TLS file from scratch. In the module I ran it once but wanted to change some parameters.  While I had the module interface still open, I selected to delete the TLS project entry just made in the list of jobs.  When I did this I did not

Re: [ccp4bb] TLS Create/Edit module error erases project folder

2009-02-09 Thread Michael Jackson
window. If it has really gone, then you have to rely on your disk backup. If it is still there, then you should be able to reload it via Directories&ProjectDir Cheers Martyn -Original Message- From: CCP4 bulletin board on behalf of Michael Jackson Sent: Fri 2/6/2009 3:30 PM To: CC