Paul,
many thanks!
Incredibly fast answer! :))
Best wishes, Guenter
On 19/12/2020 21:53, Guenter Fritz wrote:
Dear all, dear Paul,
I want to prepare scripts to run coot functions like water picking or
rotamer fitting in command line. I checked the manual and the wiki
hosted by Kay, so I got the basic idea but I have failed so far.
Therefore I am looking for some examples of simple coot scripts,
e.g. load ref.pdb, load ref.mtz, fft create map... My scripting
abilities are rather poor, so sorry if I appear ignorant to good
examples already available but not recognized by me. I am happy to
learn! I just need some very basic examples.
imol = read_pdb("6vw1.pdb")
imol_map = make_and_draw_map("6vw1/6vw1_refine.mtz", "2FOFCWT",
"PH2FOFCWT", "", 0, 0)
find_waters(imol_map, imol, 0, 1.4, 1)
########################################################################
To unsubscribe from the COOT list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1
This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list
hosted by www.jiscmail.ac.uk, terms & conditions are available at
https://www.jiscmail.ac.uk/policyandsecurity/
