Re: [ccp4bb] convert map coefficients to phases and FOM
model_phase.inp On Wed, 2010-11-10 at 21:31 -0800, Matt Colins wrote: > Hi, > > I am trying to calculate phases and FOM from a model map. However, CNS 1.2 > model_map.inp does not output map phases and FOM. Instead, it only gives map > coefficients. My question is how to convert these map coefficients to phases > and > FOM. Does anyone have a script to do that? > > Thanks so much, > Matt > > > > -- "I'd jump in myself, if I weren't so good at whistling." Julian, King of Lemurs
Re: [ccp4bb] convert map coefficients to phases and FOM
In CNS v1.2, you have the input file called "model_fcalc.inp". So what I would do is to generate these Fc's from the model, then "insert" them into an mtz that contains your Fo's, and use SIGMAA to generate the Sigmaa figures of merit. Or use another program to generate e.g. Sim weights. HTH, Fred. > Message du 11/11/10 06:32 > De : "Matt Colins" > A : CCP4BB@JISCMAIL.AC.UK > Copie à : > Objet : [ccp4bb] convert map coefficients to phases and FOM > > > Hi, > > I am trying to calculate phases and FOM from a model map. However, CNS 1.2 > model_map.inp does not output map phases and FOM. Instead, it only gives map > coefficients. My question is how to convert these map coefficients to phases > and > FOM. Does anyone have a script to do that? > > Thanks so much, > Matt
Re: [ccp4bb] convert map coefficients to phases and FOM
Hi Matt, If you use the ccp4i-GUI, choose "Map&Mask Utilities" and open the "Clipper Map Utilities" Section, there is an entry called "Map to structure factors" which might do what you want - except for the FOM part which I consider impossible in that direction. Cheers, Tim On Wed, Nov 10, 2010 at 09:31:42PM -0800, Matt Colins wrote: > Hi, > > I am trying to calculate phases and FOM from a model map. However, CNS 1.2 > model_map.inp does not output map phases and FOM. Instead, it only gives map > coefficients. My question is how to convert these map coefficients to phases > and > FOM. Does anyone have a script to do that? > > Thanks so much, > Matt > > > > -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A signature.asc Description: Digital signature
