Re: [ccp4bb] Rigid body refinement as last refinement?

2009-02-07 Thread Nicholas M Glykos
I am annoyed at the fact that Refmac doesn't seem to have much respect for the electron density map Other people are much better qualified than me to point this out, but maximum likelihood methods have the utmost respect for your _data_ (and especially their standard deviations). What you

Re: [ccp4bb] Hi prep column from GE

2009-02-07 Thread M T
What are the buffer pHs (first and second run), what is the isoelectric point of your protein, have you tried Q column?... You have to give more experimental details to be more precisely helped. Nevertheless, you can find helpful advices in GE healthcare life science Handbooks:

[ccp4bb] restraints in refmac

2009-02-07 Thread riya doreen
Hello everyone, I have two ligands in my structure that I need to keep at a specific distance from each other. How can I specify this restraint in refmac ? Thanks

Re: [ccp4bb] restraints in refmac

2009-02-07 Thread Paul Emsley
riya doreen wrote: I have two ligands in my structure that I need to keep at a specific distance from each other. How can I specify this restraint in refmac ? LINK http://www.ysbl.york.ac.uk/~garib/refmac/docs/files/coordinates.html#pdb_link

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

2009-02-07 Thread Winn, MD (Martyn)
Well, I am sure this is not meant to happen. It doesn't seem to happen with my 6.1 version First question: are you sure that the project directory really has gone? Rather than it no longer showing in ccp4i. Check for the directory in a terminal window. If it has really gone, then you have

[ccp4bb] ccp4-6.1.1 for OS X (fink)

2009-02-07 Thread Engin Ozkan
Hi, everyone, Could there be an error in the ccp4-6.1.1 setup files (ccp4-6.1.1/include/ccp4.setup) in the fink version? After the last update, my CCP4_MASTER variable was defined as /sw/share/sw/share/xtal. Obviously, that did not work. Removing the extra /sw/share and updating fink

Re: [ccp4bb] ccp4-6.1.1 for OS X (fink)

2009-02-07 Thread William G. Scott
On Feb 7, 2009, at 8:16 PM, Engin Ozkan wrote: Hi, everyone, Could there be an error in the ccp4-6.1.1 setup files (ccp4-6.1.1/ include/ccp4.setup) in the fink version? After the last update, my CCP4_MASTER variable was defined as /sw/share/sw/share/xtal. Obviously, that did not work.