Re: [ccp4bb] x86-64

2007-02-16 Thread George M. Sheldrick
I am using the Intel ifort for the precompiled versions of shelx that I distribute for Linux, Windows and IntelMac. I am pretty happy with it and it produces very fast code. However I am only producing 32-bit binaries and for reasons indicated by Lynn I bought commercial licences (and also pay

Re: [ccp4bb] x86-64

2007-02-16 Thread Serge Cohen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Just to add a few comment on the 32b vs. 64b on intel processor based computers : Whereas on most platform the sole advantage of 64b computing is ony easier handling of large data chunks, the pricture is a bit different on intel x86 chips. The

Re: [ccp4bb] x86-64

2007-02-16 Thread Mogens Kjaer
Serge Cohen wrote: ... In short, if one's program doesn't require large data-space it will nearly always perform better using 32b, at the exception of the x86_64 vs. x86(32b) where the difference will be coming from a completely different reason (namely : more registers available on the process

[ccp4bb] Rfactor does not drop

2007-02-16 Thread Emmanuel Prata
Dear all, I have a data set of a protein soaked with sacarose, and the statistic data is good until the molecular replacement (Rmerge 0,07 (24%), I/Sigma 7 (2,7), completness (99,8 (98%)), and resolution 1,98A. After this step, I can not get the Rfactor (64%) to drop (I believe the spacegroup is

[ccp4bb] journals with on-hold policy

2007-02-16 Thread artem
Dear CCP4ers, This is a new question for me, and I would appreciate the forum's suggestions! I would like to find out which journals (that publish structural work) are OK with placing structures on hold for the full year permitted by the PDB. Yes, I could go site-by-site and look this stuff up, b

Re: [ccp4bb] journals with on-hold policy

2007-02-16 Thread William Scott
> I would like to find out which journals (that publish structural work) are > OK with placing structures on hold for the full year permitted by the PDB. American Rifleman, Cosmopolitan, and Dog World

Re: [ccp4bb] journals with on-hold policy

2007-02-16 Thread Bryan W. Lepore
i heard that some journals will give the referees the coordinates if they ask. so next time you review a paper, ask. -bryan

[ccp4bb] pseudotranslation and dyads in NCS

2007-02-16 Thread Daniel Adams
Hi bb, I am working on P1 dataset, SAD phasing resolution is 3.5 and trying to build model. However I am facing difficulties in improving map using NCS (in DM and resolve ). Mathews content and SRF indicate that there are 8 molecules and most likely two tetramer is ASU. There is also pseudotrans