Hi Ian, I don't know if that helps - but I used the attached script to 'convert' pre-CCP4_5.X types of MTZ files into CCP4_5.X files: not elegant but works.
The trick is to set the spacegroup name in the header again by giving the spacegroup number to MTZUTILS - which then fetches the (currently correct) spacegroup name from the (currently used) library. Cheers Clemens On Tue, Jun 27, 2006 at 06:57:57PM +0100, Ian Tickle wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > Further investigation seems to reveal that files with 'P 3 2 1' that are > used as input to programs compiled with version 4 of the library have > the '...' stripped off, leaving P 3 2 1 which the MTZ header reading > routine in all versions of the library then strips further to P (and > reports as 'P'). Files written by programs compiled with version 5.0.2 > & 6.x libraries don't have this problem. Hence there seems to be a > problem with some MTZ files having headers with corrupted space-group > name (i.e. the name is P 3 2 1 without the '...') which can't be read > properly by any program. The question is what to do about it? > > -- Ian > > > -----Original Message----- > > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On > > Behalf Of Martyn Winn > > Sent: Tuesday, June 27, 2006 8:53 AM > > To: Tilo Strutz > > Cc: [email protected] > > Subject: Re: [ccp4bb]: SpaceGroupNames > > > > *** For details on how to be removed from this list visit the *** > > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > > > DM should be fine with spaces, provided it is as least as > > recent as the > > F2MTZ you are using. > > > > Can you check what version of DM you are using? > > > > If it is still a problem, can you give details of how you are running > > DM, whether you are using GUI, etc > > > > Cheers > > Martyn > > > > On Mon, 2006-06-26 at 18:30 +0200, Tilo Strutz wrote: > > > *** For details on how to be removed from this list visit the *** > > > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > > > > > > Dear, > > > > > > I have observed that F2MTZ creates space-group names with > > spaces in-between, e.g. 'P 43 21 2', > > > independent on whether > > > > > > SYMMETRY P43212 > > > or > > > SYMMETRY 96 > > > > > > was given as card. > > > > > > However, DM truncates the string down to 'P'. > > > > > > Bug or feature? > > > > > > How can I prevent F2MTZ from putting the spaces or how can > > I prevent DM from cutting the string? > > > Is there a patch available? > > > > > > > > > > > > > > Disclaimer > > This communication is confidential and may contain privileged information > intended solely for the named addressee(s). It may not be used or disclosed > except for the purpose for which it has been sent. If you are not the > intended recipient you must not review, use, disclose, copy, distribute or > take any action in reliance upon it. If you have received this communication > in error, please notify Astex Therapeutics Ltd by emailing [EMAIL PROTECTED] > and destroy all copies of the message and any attached documents. > > > > Astex Therapeutics Ltd monitors, controls and protects all its messaging > traffic in compliance with its corporate email policy. The Company accepts no > liability or responsibility for any onward transmission or use of emails and > attachments having left the Astex Therapeutics domain. Unless expressly > stated, opinions in this message are those of the individual sender and not > of Astex Therapeutics Ltd. The recipient should check this email and any > attachments for the presence of computer viruses. Astex Therapeutics Ltd > accepts no liability for damage caused by any virus transmitted by this > email. E-mail is susceptible to data corruption, interception, unauthorized > amendment, and tampering, Astex Therapeutics Ltd only send and receive > e-mails on the basis that the Company is not liable for any such alteration > or any consequences thereof. > > > -- *************************************************************** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-------------------------------------------------------------- * BUSTER Development Group (http://www.globalphasing.com) ***************************************************************
mtz2mtz.sh
Description: Bourne shell script
