Hello, I'm not totally up-to-the minute with this but I didn't know that refmac itself added waters so maybe it's another program in an i2 pipeline, or something. However, I know another excellent refinement program that does ;-) and an excellent graphics program that does, too ;-0
In the past, we have added well-defined water molecule when the R-factor goes into the mid-to-low thirties, or lower. Anything above 2 sigma in a delta-F map making sensible H-bonds is likely to be real but you can lower that cutoff a bit (~1.5) if your resolution is not brilliant. Glad to be corrected on this. Best wishes, Jon Cooper. jon.b.coo...@protonmail.com -------- Original Message -------- On 12 Sep 2020, 11:06, Luca Mazzei wrote: > Dear CCP4 people, > > I am approaching in these days to the new CCP4i2 interface and, in > particular, to REFMAC. Can anyone quickly explain what the factor R, that > must be chosen in order to automatically add water molecules, is? How can I > relate this value with the previous DELFWT and FWT map values? > > Thanks, > > Luca > > Luca Mazzei - PhD > Department of Pharmacy and Biotechnology > University of Bologna > Viale Giuseppe Fanin, 40 - 40127 > Bologna - Italy > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
