Re: [COOT] AW: one coot function
i think what gerhard ment to say is: it would be good if you always could explain a bit: - which part of the docu you have read - what you have tried - and what exactly did not work as decribed there this allows for more focussed answers and will help the programmers to improve their documentation, too ... ingo On 26.01.2012 09:50, Stefan Gerhardt wrote: What about reading the manual ?? /ouups, that was me thinking loudly … *Von:*Mailing list for users of COOT Crystallographic Software [mailto:COOT@JISCMAIL.AC.UK] *Im Auftrag von *Dialing Pretty *Gesendet:* Donnerstag, 26. Januar 2012 04:55 *An:* COOT@JISCMAIL.AC.UK *Betreff:* one coot function Dear All, Will you please tell me how to set up a map in Coot in order to use the Fit Loop function in Calculate? Cheers, Dialing -- CRELUX GmbH Dr. Ingo Korndoerfer Head of Crystallography Am Klopferspitz 19a 82152 Martinsried Germany Phone: +49 89 700760210 Fax: +49 89 700760222 korndoer...@crelux.com www.crelux.com Amtsgericht München HRB 165552 - Managing Directors: Dr. Michael Schäffer, Dr. Ismail Moarefi This e-mail may contain confidential and/or privileged information. If you are not the intended recipient (or have received this e-mail in error) please notify the sender immediately and destroy this e-mail. Any unauthorized copying, disclosure or distribution of the material in this e-mail is strictly forbidden. Diese E-Mail enthält vertrauliche und/oder rechtlich geschützte Informationen. Wenn Sie nicht der richtige Adressat sind oder diese E-Mail irrtümlich erhalten haben, informieren Sie bitte sofort den Absender und vernichten Sie diese Mail. Das unerlaubte Kopieren sowie die unbefugte Weitergabe dieser Mail ist nicht gestattet. attachment: korndoerfer.vcf
[COOT] application of crystallographic symmetry operators
hello everybody, i was struggling with a detail yesterday and haven't really gotten anywhere (well yes, i have done it another way, now, but still think it should work as i describe below). when i click on a symmetry mate, coots shows me the symmetry operators applied to generate this one, in my case like [-X+1/2,Y+1/2,-Z (-1 -1 -1)] (or so, from memory) now i tried to use this symmetry operator to generate a new molecule. it would apply the first part, but completely ignore the second part. that is fine, since the funny translation term in () ... well ... i can see coot could possibly not handle that. but then i also tried -X-1/2,Y-1/2,-Z-1 and that would not make any difference. so before trying much more, could anybody confirm to me, that really, i should be able to simply copy the symmetry operator coot shows me, when i click on a symmetry mate and use it AS IS, to GENERATE that symmetry mate, or at least confirm, that my second approach was not completely off. or, if not, would it be conceivable to have coot show exactly what i need to input to generate this mate, or vice versa, interpret it's own output correctly. or would it be conceivable, that rather then entering a symmetry operator, i would simply click on the symmetry mate that i would like to generate and it fills in the proper operator for me ? (paul ... i am sure i can reproduce this behaviour and send you screenshots if needed ...) 1000 thanks ingo attachment: korndoerfer.vcf
