And so does MOLREP.. Phaser too please? E
And Paul - yes; please cut and paste.. E On 21 June 2018 at 20:00, George Sheldrick <gshe...@uni-goettingen.de> wrote: > For small molecules, programs such as SHELXT move the structure to be as > near as possible to the center of the unit-cell, not the origin. Failure to > do so may cause a 'checkCIF alert'. > > George > > > On 06/21/2018 09:34 PM, John Berrisford wrote: > > From a PDB deposition point of view, I echo Paul’s comment. If possible, > please move your molecule closer to the origin. It helps with the curation > process and is easier for users of your entry as some software struggles > with such extreme transformations. > > > > Regards > > > > John > > > > -- > Prof. George M. Sheldrick FRS > Dept. Structural Chemistry, > University of Goettingen, > Tammannstr. 4, > D37077 Goettingen, Germany > Tel: +49-551-39-33021 or +49-5594-227312 > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
