Re: [ccp4bb] need help--Rfree is not decreasing

2007-07-23 Thread Eleanor Dodson
First suggestion - use WEIGHT AUTO in REFMAC - you may have restrained the geometry too tightly.. And have you tried TLS ? And at what level do you see no density - remember sigma levels in maps need to vary with B factor - very easy to achieve this with COOT.. Eleanor JOE CRYSTAL wrote:

Re: [ccp4bb] refmac5 issues: C-terminal amidation and maltose library file

2007-07-23 Thread Eleanor Dodson
Q2 Copy the MAL entry into your own directory cp $CLIBD/monomers/m/MALcif ./ Then correctt it in your directory And assign LIBIN ./MAL.cif The program will read your corrected version and ignore the distributed one. Q1 If you run REFMAC the GUI under review restraints, it will detect and

Re: [ccp4bb] Stop the new PDB format!

2007-07-23 Thread Clemens Vonrhein
There is a collection of posts (unfortunately with a number of spam messages) at http://wwpdb-remediation.rutgers.edu/mail-archive/ with various comments. Although I'm not familiar with the internal workings of this remediation program, it seems indeed that the PDB format is now largely

Re: [ccp4bb] Stop the new PDB format!

2007-07-23 Thread Clemens Vonrhein
Hmmm - ccp4bb doesn't allow an attachement ... so script comes here: -- cut here --- #!/bin/sh [ $# -eq 0 ] echo ERROR: give some PDB identifier as argument type tkdiff /dev/null 21 [ $? -eq 0 ] diff=tkdiff || diff=diff for id in $@ do id=`echo

Re: [ccp4bb] CCP4 Wiki

2007-07-23 Thread tadeusz . j . skarzynski
Yes, this is how a wiki page for CCP4 might look like. However, to make a wiki successful we have to make sure it is secure and that there is a dedicated core team to maintain it. Kevin was asked by the CCP4 to lead the wiki project and while he is setting things up, it would be

Re: [ccp4bb] FPLC vs Duo Flow

2007-07-23 Thread Roger Rowlett
Our AKTA FPLC has been trouble-free for 9 years, and we bought one of the early models. It has lived in a cold room, withstood periods of heavy use, periods of inactivity, and ham-handed undergraduates without incident. I think we have replaced only the injector channels and the solvent

Re: [ccp4bb] CCP4 Wiki

2007-07-23 Thread artem
Hey, When was the announcement made? I can't claim to read all the CCP4 mail very carefully, so I probably missed the it... The wiki I've set up is essentially a sandlot - something to play with and something to give people ideas (in other terms, not intended as a final product), but I'll gladly

[ccp4bb] ARP/wARP 7.0 error

2007-07-23 Thread Craig McElroy
Hi all, I am trying to use the new ARP/wARP to build a model starting from a partially refined structure for the phases using the Use pdb file as it is option. When I run the program it quits after/during the first REFMAC cycle with the following message: ERROR ('IndexError', ('list index out of

Re: [ccp4bb] Stop the new PDB format!

2007-07-23 Thread mesters
I like to think structural biologists are more than just another user group, they FEED the PDB! Their needs should first and foremost be taken care off, I would think. Also, it would indeed be a great loss if legacy programs can not be used anymore. - Jeroen - Clemens Vonrhein wrote:

Re: [ccp4bb] CCP4 Wiki

2007-07-23 Thread tadeusz . j . skarzynski
Hi Artem, There was a decision by the CCP4 Executive at the last CCP4 developers meeting in March to develop the wiki. Kevin was asked to coordinate this after his presentation of the wiki proposal and analysis of the issues involved, based on the experience gained from the York wiki. The

Re: [ccp4bb] CCP4 Wiki

2007-07-23 Thread James Stroud
Would a CCP4 wiki be different from a general crystallography wiki? Would it reflect, for instance, the breadth of topics on the CCP4BB? On Monday 23 July 2007 09:57, [EMAIL PROTECTED] wrote: Contributions from volunteers to establish and maintain the CCP4 wiki will be definitely appreciated.

Re: [ccp4bb] native PAGE for duplex DNA purification

2007-07-23 Thread Artem Evdokimov
If you're worried about UV all you need to do is to run multiple lanes of the same stuff, shield all but one with some sort of UV-opaque material (many kinds of plastics work very well), and cut the shielded lanes based on what you see on the illuminated lane. In a properly cast gel, all the lanes