[COOT] Value of density-score-residue

2018-04-23 Thread Sanjit Singh Batra
Hey! I'm calculating the density-score-residue of each residue in a structure using the Scheme scripting in Coot. I wanted to ask a couple of questions: 1) What is the difference between the density-score-residue function and the score-residue-range-fit-to-map function and what is displayed on

Re: [COOT] Flip (histidine) sidechain 180 degrees

2018-04-23 Thread Paul Emsley
On 23/04/18 18:01, wtempel wrote: > Hello, > is flipping a His side chain using the button on the right-hand > toolbar working for you as expected? In our hands, starting with > version 0.8.9 (?), the "side chain flip", applies a 180 degree chi-2 > rotation keeping the imidazole moiety fixed and

[COOT] Flip (histidine) sidechain 180 degrees

2018-04-23 Thread wtempel
Hello, is flipping a His side chain using the button on the right-hand toolbar working for you as expected? In our hands, starting with version 0.8.9 (?), the "side chain flip", applies a 180 degree chi-2 rotation keeping the imidazole moiety fixed and disrupting the protein main chain. Gln and