[ccp4bb] PhD position at the ESRF Structural Biology Group

2009-07-27 Thread Matthew BOWLER
Dear All, I have a PhD studentship to work with me in Grenoble in collaboration with Jon Waltho's group in Sheffield, where the student will be registered. I would be grateful if you could pass on the advert below to any potential candidates. Many thanks, yours, Matthew. *PhD Thesis Stu

Re: [ccp4bb] install issue on win vista - where is the ccp4i executable?

2009-07-27 Thread Stuart Endo-Streeter
I get the following error when trying to run ccp4i.tcl with bltwish.exe: Can't read "env(CCP4I_TOP)": no such variable while executing "file join $env(CCP4I_TOP) bin $system(OPSYS) startup.tcl" invoked from within "source [file join $env(CCP4I_TOP) bin $system(OPSYS) startup.tcl]" (file "C:\CCP4

[ccp4bb] install issue on win vista - where is the ccp4i executable?

2009-07-27 Thread Stuart Endo-Streeter
Hopefully someone knows what is going on here, I ran the installation for CCP4 6.1.1 from the automated installer on my new vista system. It ran with no error messages, but after completion there is no start menu entry (unlike what the wiki says should show up). I can not find an executable o

[ccp4bb] Phase matching program(s)

2009-07-27 Thread James Tucker Swindell II
I am currently working with two of ccp4i's phase comparison software packages, Phase Comparison(a clipper utility) and Phistats. I am having a problem finding information concerning both how the programs actaully analyze the data (since I find slightly different results with each program) a

Re: [ccp4bb] Problem with different map when ligand refinement

2009-07-27 Thread artem
Hi, Barring orientation mishaps - it almost sounds like you have an ethyl rather than a methyl ester... Could it be that your compound is an ester of ethanol rather than methanol? Artem > Dear ccp4 experts, > I am trying to solve the structure of one esterase with its substrate. The > structure

Re: [ccp4bb] ccp4i, OS X 10.5.7, & security enforcement

2009-07-27 Thread James Stroud
On Jul 27, 2009, at 2:27 AM, Martyn Winn wrote: This code hasn't changed since 2000, and I think we would have noticed if there was something fundamentally wrong with it. So before going off on a long analysis of shell scripting, it is best to check basics. What have you changed? You have add

Re: [ccp4bb] Problem with different map when ligand refinement

2009-07-27 Thread Judith Murray-Rust
Oh, had assumed it was the S- absolute configuration ... TriNgo? J -- Dr Judith Murray-Rust Structural Biology Laboratory Cancer Research UK. > -Original Message- > From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On > Behalf Of Roger Rowlett > Sent:

Re: [ccp4bb] ccp4i, OS X 10.5.7, & security enforcement

2009-07-27 Thread Martyn Winn
This code hasn't changed since 2000, and I think we would have noticed if there was something fundamentally wrong with it. So before going off on a long analysis of shell scripting, it is best to check basics. What have you changed? You have added an "echo" statement. Why should that matter? Beca

Re: [ccp4bb] Density modification

2009-07-27 Thread Kevin Cowtan
This message means that the starting electron density map is completely flat, which makes any density modification impossible. There are several possible reasons for this: 1. No FOM specified on LABIN. 2. FOM specified, but all FOMs are equal to zero. 3. All F's equal to zero. 4. Input map c