Re: [ccp4bb] CAD on multi-record file

2009-04-09 Thread James Foadi
Many thanks for all your answers! It appears that using REBATCH is the best option for me, as I'm not planning on using SCALA (or POINTLESS) on this unmerged file. Keywords were as follows (for those who might be interested): TITLE Change Project, crystals and datasets name_ change batch numbers

Re: [ccp4bb] Domain rotation axis reprentation

2009-04-09 Thread Michael Oldham
If you have the arrow defined by GLY CA coordinates which is created from DynDom then you can use the script on the following link to define an axis in PyMOL and change the color or thickness as you want. Define the position of the axis using two of the GLY CA coordinates found along the arrow lin

Re: [ccp4bb] CAD on multi-record file

2009-04-09 Thread Phil Evans
or Pointless On 9 Apr 2009, at 18:09, James Holton wrote: Don't use CAD. Use REBATCH. -James Holton MAD Scientist James Foadi wrote: Dear all, (apologies for those being tired of similar questions...) I have tried using CAD on an "unscaled" MTZ from Mosflm. All I wanted to do was to change

Re: [ccp4bb] Rice vs Sim vs ACNSFD

2009-04-09 Thread Bernhard Rupp
Actually, on more digging, there seems to be a publication of the "Mathematical Analysis of Random Noise," by Rice already in 1944/45 http://www.ieee.org/web/aboutus/history_center/biography/rices.html No idea of Rice and Sim were aware of each other's work. Best, BR

[ccp4bb] Domain rotation axis reprentation

2009-04-09 Thread peter hudson
Hi all Sorry for partially off topic query I am working with a multidomain protein. which is present in closed and open conforamtion because of the motion in the domains of the protein. I would like to describe the roation angle of the different domains of the protein and the direction of th

Re: [ccp4bb] Rice vs Sim vs ACNSFD

2009-04-09 Thread Bernhard Rupp
Dear Ian, > distinction you're making between 'A Rice function' and 'THE Rice function' since > my understanding was that there was only one form of Rice distribution, > i.e. the one defined here: http://en.wikipedia.org/wiki/Rice_distribution . The same distinction seems common for the Gauss N

Re: [ccp4bb] CAD on multi-record file

2009-04-09 Thread James Holton
Don't use CAD. Use REBATCH. -James Holton MAD Scientist James Foadi wrote: Dear all, (apologies for those being tired of similar questions...) I have tried using CAD on an "unscaled" MTZ from Mosflm. All I wanted to do was to change crystal name, dataset name and project name. This is what I g

Re: [ccp4bb] CAD on multi-record file

2009-04-09 Thread Graeme Winter
Hi James, This isn't a direct answer to your question, but you can assign these on the Scala command line input, thus: name run 1 project AUTOMATIC crystal DEFAULT dataset WAVE1 name run 2 project AUTOMATIC crystal DEFAULT dataset WAVE2 I am assuming that this would be your next step anyhow. Be

[ccp4bb] Schering-Plough Research Institute Postdoctoral Fellowships in the USA

2009-04-09 Thread Xavier Fradera
Schering-Plough is an innovation-driven, science-centred global health care company. Through our investment in biopharmaceutical research, development and manufacturing we create therapies that help save and improve lives of people around the world. In recognition of the central role of organic sy

[ccp4bb] CAD on multi-record file

2009-04-09 Thread James Foadi
Dear all, (apologies for those being tired of similar questions...) I have tried using CAD on an "unscaled" MTZ from Mosflm. All I wanted to do was to change crystal name, dataset name and project name. This is what I got: --

Re: [ccp4bb] Rice vs Sim vs ACNSFD

2009-04-09 Thread Ian Tickle
Hi Bernhard Oh dear we're getting into naming issues again!! I'm not clear what's the distinction you're making between 'A Rice function' and 'THE Rice function' since my understanding was that there was only one form of Rice distribution, i.e. the one defined here: http://en.wikipedia.org/wik