Re: [ccp4bb] angle restraint refmac etc

2008-05-22 Thread Garib Murshudov
On 23 May 2008, at 02:03, Bernhard Rupp wrote: Dear All, I have a 3 minor questions re refmac internals: 1) does refmac use angle values directly or restrain 1-3 distances for angle restraint setup? Yes. Angles are angles in degrees. 2) the ML coefficients FWT and DELFWT - are they the com

[ccp4bb] angle restraint refmac etc

2008-05-22 Thread Bernhard Rupp
Dear All, I have a 3 minor questions re refmac internals: 1) does refmac use angle values directly or restrain 1-3 distances for angle restraint setup? 2) the ML coefficients FWT and DELFWT - are they the complete Fourier coefficients including the exponential, i.e. for example FWT = (2mFo-DFc)