[ccp4bb] What is the meaning of Fbar in solve ?

2008-07-17 Thread miwei
Hi everyone: Could anyone tell me the meaning of Fbar in the MADFBARFILE in solve? Does Fbar stand for delta f prime or just f prime for heavy atom? By the way, I want to learn more about how solve work, but I have no right to access papers about solve. could anyone send me pdf copies of

Re: [ccp4bb] What is the meaning of Fbar in solve ?

2008-07-17 Thread Martyn Winn
In a vain attempt to head off another flurry of emails . can I state that CCP4 does not condone illegal file sharing, and breaking of copyright. To avoid any misunderstandings, please do not use ccp4bb to ask for PDFs of articles. You can usually ask the author in private. Regards Martyn On

[ccp4bb] Advice for phasing

2008-07-17 Thread Junyu Xiao
Hi, I have a very good native data set. However, the selenomethionyl crystal has a different space group and always suffers from radiation damage. A three-wavelength data set was still collected, and after phasing in SHARP, some features can be seen but the map is not good enough for

Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Jacob Keller
Wouldn't it make sense to do MIRAS with both the Se and Hg derivatives, and add in some multi-crystal averaging from the native set? You seem like you are almost there, though. I assume you have already tried DM and NCS averaging (if there is any)? Jacob

Re: [ccp4bb] spam Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Van Den Berg, Bert
For the SeMet dataset, which wavelength did you collect first? If it is the peak, you could try doing SAD with just the peak wavelength. Maybe combine the Se peak data with the Hg dataset (provided they are isomorphous) and do MIRAS as Jacob suggested. Bert van den Berg University of

[ccp4bb] pink/green paper?

2008-07-17 Thread James Murray
Dear all, I have a request for a different kind of paper. Does anyone know of a supplier of the X-ray sensitive pink (or green) paper used to locate X-ray beams. James -- Dr. James Murray PX group SGC Oxford

Re: [ccp4bb] Advice for phasing

2008-07-17 Thread Anastassis Perrakis
Hi - I would try SHARP; or to be exact be tempted to think less and use autoSHARP with the description of all datasets and only give it the Se sites for the seMet crystal. The same thing can also be done easily in Solve. In both cases I would start with unmerged data and let these

Re: [ccp4bb] pink/green paper?

2008-07-17 Thread Matthew . Franklin
CCP4 bulletin board CCP4BB@JISCMAIL.AC.UK wrote on 07/17/2008 11:25:20 AM: Dear all, I have a request for a different kind of paper. Does anyone know of a supplier of the X-ray sensitive pink (or green) paper used to locate X-ray beams. James Hi James - I've used Gafchromic film

Re: [ccp4bb] 2D deviation plot

2008-07-17 Thread Ethan Merritt
On Thursday 17 July 2008 09:48:08 Shawn Leeds wrote: Dear all, I am trying to generate 2D Ca deviation plots for my superimposed molecules as needed for publication. I am wondering what is the program of choice for such a purpose? I tried Lsqkab in CCP4, but wasn't sure what's the most

[ccp4bb] mrBUMP - proxy to internet

2008-07-17 Thread sajid akthar
Dear All I want to run MrBump. We have dynamic internet system in our institute. So I am not able to locate the proxy address. Any help please Sajid From Chandigarh to Chennai - find friends all over India. Go to http://in.promos.yahoo.com/groups/citygroups/

[ccp4bb] synchrotron remote data collection

2008-07-17 Thread Christina Bourne
Hello all, I am trying to put together a list of available beamlines that now do either remote data collection or mail-in collection. So far I've found: BNL mail-in facility SSRL all PX beamlines have remote capability ALS 4.2.2 beamline has remote capability Any input/corrections would be

[ccp4bb] Imidazole's ability to chelate metal ions

2008-07-17 Thread Jacob Keller
Dear Crystallographers, Does anybody happen to know whether imidazole is able to chelate metal ions in solution? It seems reasonable that since it can compete for binding to IMAC resins, it should have some affinity for at least Ni++ and Co++, but what about metal ions like Ca++ and Mg++? I