Re: [ccp4bb] isymop reference for ISYM column in MTZ files

[Robbie Joosten]

If I understand the documentation correctly (https://www.ccp4.ac.uk/html/mtzformat.html), it refers to the symmetry operations as they are stored in the header of the MTZ file. So the source of the MTZ file might make a difference. The safest way of using this data is to follow the header and not some implied order.HTH,RobbieOn 15 Mar 2024 04:59, "Hekstra, Doeke Romke"  wrote:

Hi, 
 
I would like to be sure about which symmetry operation the M/ISYM column in an MTZ file is referring to. Is it correct that this matches the order in CCP4’s /lib/data/syminfo.lib (at least when this order is unique—it is not always so)?
 Would anyone know why the order in one of my favorite websites (http://img.chem.ucl.ac.uk/sgp/large/sgp.htm) happens to often be different?
 
Thank you,
Doeke
 
=  
 
Doeke Hekstra
Assistant Professor of Molecular & Cellular Biology, and of Applied Physics (SEAS),
Director of Undergraduate Studies, Chemical and Physical Biology
Center for Systems Biology, Harvard University
52 Oxford Street, NW311
Cambridge, MA 02138
Office:    617-496-4740
Admin:   617-495-5651 (Lin Song)
 
 




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[ccp4bb] isymop reference for ISYM column in MTZ files

[Hekstra, Doeke Romke]

Hi,

I would like to be sure about which symmetry operation the M/ISYM column in an 
MTZ file is referring to. Is it correct that this matches the order in CCP4's 
/lib/data/syminfo.lib (at least when this order is unique-it is not always so)? 
Would anyone know why the order in one of my favorite websites 
(http://img.chem.ucl.ac.uk/sgp/large/sgp.htm) happens to often be different?

Thank you,
Doeke

=

Doeke Hekstra
Assistant Professor of Molecular & Cellular Biology, and of Applied Physics 
(SEAS),
Director of Undergraduate Studies, Chemical and Physical Biology
Center for Systems Biology, Harvard University
52 Oxford Street, NW311
Cambridge, MA 02138
Office:617-496-4740
Admin:   617-495-5651 (Lin Song)





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