Thanks to Eugene, Mark, and Rajiv. All suggested a change in occupancy. Best wishes, Chris
<http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Virus-free. www.avg.com <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> On Wed, Nov 6, 2019 at 10:26 AM Eugene Osipov <e.m.osi...@gmail.com> wrote: > Chris, > you can reduce occupancy of the water molecule, like: 0.5 if water lies on > 2-fold axis, or 1/3 if it is on 3-fold axis and so on > > ср, 6 нояб. 2019 г. в 11:18, Chris Fage <fage...@gmail.com>: > >> Dear BB Users, >> >> Within my unit cell, I see overlapping spherical blobs of Fo-Fc and >> 2Fo-Fc density in Coot. These blobs appear directly at the symmetry >> boundary, such that building a water molecule at the position results in >> overlaid symmetry-related molecules (see water 420, between three copies of >> His253). Is there a way to add this water without suffering from symmetry >> clashes, or should the density be ignored? Thanks in advance for your >> suggestions. >> >> Image: https://ibb.co/HYFFcbt >> >> Best wishes, >> Chris >> >> >> <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> >> Virus-free. >> www.avg.com >> <http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> >> <#m_-3618718045112204594_m_4255867940939575698_DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> > > > -- > Evgenii Osipov > Laboratory for Biocrystallography, > Department of Pharmaceutical Sciences, > KU Leuven O&N2 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
