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OMG - I've ignored them in my .coot.py file ... This explains the strange mt rotamer with (-65, 51) without correction by Coot. However, if I let Coot correct the nomenclature errors, the mt rotamer on the same leucine looks okay, now, and the externally measured Chi angles are indeed (-65, 175), but "Edit Chi Angles" in Coot displays them as (-65, -61). Could you please check this? Best regards, Dirk. Am 19.06.13 15:32, schrieb Paul Emsley: > On 06/19/2013 09:16 AM, Dirk Kostrewa wrote: >> ... and I've seen two different Coot mt leucine rotamers: the one >> that I've reported with Chi-angles -65, 51 (which would be closer to >> the mp rotamer), and one with Chi-angles -65, -60 (which would be >> mm). Apparently, Coot changes something else. Anyway, I'm still >> missing the correct mt rotamer with Chi angles -65, 175. >> > > Do you accept or reject nomenclature error correction when you read in > the coordinates? > > -- ******************************************************* Dirk Kostrewa Gene Center Munich Department of Biochemistry Ludwig-Maximilians-Universität München Feodor-Lynen-Str. 25 D-81377 Munich Germany Phone: +49-89-2180-76845 Fax: +49-89-2180-76999 E-mail: [log in to unmask] WWW: www.genzentrum.lmu.de *******************************************************