Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Anastassis Perrakis
On Feb 2, 2009, at 11:39, Clemens Vonrhein wrote: Hi Tassos, On Mon, Feb 02, 2009 at 11:13:28AM +0100, Anastassis Perrakis wrote: To be more detailed I would: 0. Put the mol rep solution in ARP/wARP and let it run (in the meantime proceed to 1-3 if 0. fails ...) ^^^ You didn

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Clemens Vonrhein
Hi Tassos, On Mon, Feb 02, 2009 at 11:13:28AM +0100, Anastassis Perrakis wrote: > To be more detailed I would: > > 0. Put the mol rep solution in ARP/wARP and let it run (in the meantime > proceed to 1-3 if 0. fails ...) ^^^ You didn't tell us what point 1 is: > 2. Do some density

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Anastassis Perrakis
Hi - With good 2.0 A data (as you seem to have) and a correct solution, I would be rather surprised if ARP/wARP - REFMAC5 would not refine and build a model without major trouble. Did you try that at all ? To be more detailed I would: 0. Put the mol rep solution in ARP/wARP and let it run (i

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Nicholas M Glykos
Hi Xie, > Many thanks to all who responded to my earlier query (Drs. Paul > Swepston, Randy Read and Nicholas Glykos). I am trying to determine the > structure of a very long coiled coil dimer (roughly 150 residues long) > by molecular replacement. I don't know if it forms a canonical coiled

Re: [ccp4bb] brute force molecular replacement

2009-02-01 Thread Xie Jiabao
partial structure is available? Xie --- On Sat, 1/24/09, Randy J. Read wrote: From: Randy J. Read Subject: Re: [ccp4bb] brute force molecular replacement To: CCP4BB@JISCMAIL.AC.UK Date: Saturday, January 24, 2009, 8:37 PM Hi, If you were desperate for BRUTE, I could probably dig out

Re: [ccp4bb] brute force molecular replacement

2009-01-27 Thread Frank von Delft
That may be so, but I'm still grappling with the visual of a younger Ian on all fours under the table -- or whatever it was, I deleted the email but the visual lingers, morphing disturbingly). phx. Nicholas M Glykos wrote: Dear Jacob, Why is it called "queen of spades?" As it ha

Re: [ccp4bb] brute force molecular replacement

2009-01-27 Thread Nicholas M Glykos
Dear Jacob, > Why is it called "queen of spades?" As it happened, I was reading Alexander Pushkin's "Queen of Spades" while writing Qs. The book touches upon the subject of how close you can get to win everything and still lose it all. I thought that this was relevant for a stochastic search,

Re: [ccp4bb] brute force molecular replacement

2009-01-26 Thread Ian Tickle
.@jiscmail.ac.uk] On Behalf Of Jacob Keller > Sent: 26 January 2009 17:30 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] brute force molecular replacement > > Why is it called "queen of spades?" > > JPK > > *** >

Re: [ccp4bb] brute force molecular replacement

2009-01-26 Thread Jacob Keller
il: j-kell...@northwestern.edu *** - Original Message - From: "Nicholas M Glykos" To: Sent: Sunday, January 25, 2009 9:14 AM Subject: Re: [ccp4bb] brute force molecular replacement Dear Xie, What are the other brute force programs for molec

Re: [ccp4bb] brute force molecular replacement

2009-01-25 Thread Nicholas M Glykos
Dear Xie, > What are the other brute force programs for molecular replacement out > there? Qs (available via http://www.mbg.duth.gr/~glykos/Qs.html) can be as brutal with your CPU(s) as they can take. Nicholas -- Dr Nicholas M. Glykos, Department of Molecular Biology

Re: [ccp4bb] brute force molecular replacement

2009-01-24 Thread Randy J. Read
Hi, If you were desperate for BRUTE, I could probably dig out the source code. My somewhat newer program BEAST also does a brute-force search, and you could get that by downloading an older version of CCP4 or, again, directly from me. Our new program Phaser also has brute-force rotation and

[ccp4bb] brute force molecular replacement

2009-01-24 Thread Xie Jiabao
Dear all, >From where can I download the molecular replacement program BRUTE? What are >the other brute force programs for molecular replacement out there? Thanks in advance, Xie