Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Stein, ND (Norman)
Hi Paola This looks like a bug in Scala to me. The error message should only be printed out if the Relative Length Error exceeds 0.03 or the Angle error exceeds 0.5, whereas in your case both errors are zero. The relevant lines of code are a new addition in 6.0.2, which explains why you didn't

Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Phil Evans
I believe this is a combination of errors in COMBAT (not setting cell constraint flags correctly) and SCALA (not detecting properly that they are unset) I believe that I have fixed the Scala error in my latest version ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/scala_3.2.28.tar.gz (I hope!) There

Re: [ccp4bb] Structures with pseudo-uridine?

2007-04-27 Thread Poul Nissen
Hi Yuan, Basically all tRNA structures in pdb will contain pseudo-U, and starting from old tRNAPhe literature you will find a lot on the structural consequences of having pseudo-U in RNA. Poul On 27/04/2007, at 3.45, Yuan Lin wrote: Dear All, I solved a structure of a

Re: [ccp4bb] Superposition of maps from different crystal forms

2007-04-27 Thread Paul Emsley
Andrew, Did you try the NCS maps in Coot and it didn't work and therefore you are going down this rather convoluted route? On Fri, Apr 27, 2007 at 10:20:12AM +0100, Eleanor Dodson wrote: Well - I would do it the same way as you are - find a matrix with lsqkab, then apply that to the map with

Re: [ccp4bb] Error with scala after combat

2007-04-27 Thread Phil Evans
An additional fix of Clemens' made in 3.2.29 ftp://ftp.mrc-lmb.cam.ac.uk/scala_3.2.29.tar.gz Phil On 27 Apr 2007, at 10:10, Clemens Vonrhein wrote: Hi Phil, these diffs I made to 3.2.27 - seem to fix some other things too. Cheers Clemens On Fri, Apr 27, 2007 at 09:50:16AM +0100, Phil

[ccp4bb] call for proposals for beamtime at BM14/ESRF June/July 2007

2007-04-27 Thread Martin A. Walsh
Dear all, please get your applications in for beamtime at BM14 before the end of next week -i.e. Friday 4th May if you would like beamtime in june or july and want to solve some structures before the August break - if you want good phases then get your applications in to us sooner rather than

Re: [ccp4bb] weird thing about MR

2007-04-27 Thread Eleanor Dodson
Such high R values usually mean there are many many very weak relections.. You havent kept in the h+k+l = 2n+1 reflections have you? Do a native Patterson check too to make sure there are not other translations which might distort the data Eleanor Yi Xue wrote: Dear all: I have a

[ccp4bb] buried surface area

2007-04-27 Thread Gloria Borgstahl
Hello all, What is the easiest way, these days, to calculate the buried surface area between two subunits of a protein? Thanks, and Happy Friday,

Re: [ccp4bb] buried surface area

2007-04-27 Thread Jiamu Du
Dear *Gloria* In CNS, you can do it use buried_suface.inp. On 4/28/07, Gloria Borgstahl [EMAIL PROTECTED] wrote: Hello all, What is the easiest way, these days, to calculate the buried surface area between two subunits of a protein? Thanks, and Happy Friday, Gloria