[ccp4bb] AW: [ccp4bb] Calculating shape complementarity (sc) parameter using CCP4

2011-06-01 Thread Stefan Gerhardt
Hi Li Chen, try #!/bin/sh -f sc xyzin 1XOU.pdb eof-sc Molecule 1 CHAIN A MOLECULE 2 CHAIN B end eof-sc in a small script lets say sc.com then run %sc.com |tee sc.log and you'll get something like this : Summary of results:

[ccp4bb] Phase III beamline at Diamond Light Source. Call for support.

2011-06-01 Thread Johan Turkenburg
Many of you will have seen the request for expressions of Interest for the phase III proposal for A versatile microfocus beamline with an in-situ side station for macromolecular crystallography at DIAMOND. As one of the co-proposers I would like to urge you to support this proposal and write a

Re: [ccp4bb] Very low resolution map.

2011-06-01 Thread Pavel Afonine
Hi Hailiang, to get feeling about how maps may look like at different resolutions do the following learning exercise: download a structure from PDB and compute Fcalc maps at different resolutions: phenix.fmodel model.pdb high_res=1 phenix.fmodel model.pdb high_res=2 phenix.fmodel model.pdb

Re: [ccp4bb] Very low resolution map.

2011-06-01 Thread Hailiang Zhang
Hi Pavel: I tried phenix.fmodel at different resolutions up to 20A, and never got any big envelop covering the whole molecule. ...anyway, thanks... Hailiang Hi Hailiang, to get feeling about how maps may look like at different resolutions do the following learning exercise: download a

Re: [ccp4bb] Very low resolution map.

2011-06-01 Thread Ethan Merritt
On Wednesday, June 01, 2011 04:45:36 pm Pavel Afonine wrote: Hi Hailiang, to get feeling about how maps may look like at different resolutions do the following learning exercise: download a structure from PDB and compute Fcalc maps at different resolutions: phenix.fmodel model.pdb

Re: [ccp4bb] Very low resolution map.

2011-06-01 Thread Nat Echols
On Wed, Jun 1, 2011 at 4:45 PM, Pavel Afonine pafon...@gmail.com wrote: to get feeling about how maps may look like at different resolutions do the following learning exercise: download a structure from PDB and compute Fcalc maps at different resolutions: phenix.fmodel model.pdb high_res=1

[ccp4bb] convert .osc file to .img

2011-06-01 Thread Madhu shankar Madhu shankar
Hi there, I would like to know how to convert a .osc file to .img file which can be then read by mosflm or ccp4 programs so that it can be indexed and integrated. Thanks! Madhu