Re: [ccp4bb] Problems with CCP4MG

2012-07-06 Thread Stuart McNicholas
Dear Regina, On 5 Jul 2012, at 17:51, Regina Kettering wrote: Dear All; I have two problems with the visualization program that I am hoping people can help me with: 1) I downloaded a model from the Swiss-Model repository that I have been trying to open on CCP4MG version 2.4.2. I have it

[ccp4bb] Accessing CCP4MG applications via python scripts

2012-07-06 Thread Mo Wong
Hi, I can't see any documentation on the CCP4MG web site that shows how to access applications using python scripts. If someone could e-mail me basic script that uses SSM to automatically superimpose all loaded PDBs I'd be very grateful. Thanks!

Re: [ccp4bb] Accessing CCP4MG applications via python scripts

2012-07-06 Thread Stuart McNicholas
Dear Mo, On 6 Jul 2012, at 09:09, Mo Wong wrote: Hi, I can't see any documentation on the CCP4MG web site that shows how to access applications using python scripts. If someone could e-mail me basic script that uses SSM to automatically superimpose all loaded PDBs I'd be very

[ccp4bb] Hi

2012-07-06 Thread Afshan Begum
Hope you get this on time, I made a trip to Aberdeen in Scotland   and had my bag stolen from me with my passport,cash and credit cards in it. unfortunately for me,I have made contact with my bank but they are not providing a fast solution. I need you to lend me some money to sort my self out

[ccp4bb] electron density peak volume

2012-07-06 Thread Andrew Pannifer
Hi, Is there a way to ask peakmax to output the volume of each electron density peak that it detects (or is there a reasonably straightforward way to do this via an alternative command line runnable approach?) Cheers, Alan

Re: [ccp4bb] Problems with CCP4MG

2012-07-06 Thread Regina Kettering
The model is a theoretical model of Q766C3 (nepenthesin 1), link to the download below: http://swissmodel.expasy.org/?pid=smf02source=repositorytid=file_modelmid=7d1184184e0086123cd94070ab861eb2_1 For the virus problem, it gives me the automatic You have downloaded a file from the internet.

Re: [ccp4bb] electron density peak volume

2012-07-06 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Alan, do you think the notion of 'volume of a peak' makes sense? You are probably asking for the number of connected pixels around a local maximum above a certain threshold - again, not sure whether this is a useful concept and I am not aware of

[ccp4bb] Workshop on Advanced Data Collection with Multi-axis Goniometer and Single-photon Counting Detector

2012-07-06 Thread Meitian Wang
Workshop on Advanced Data Collection with Multi-axis Goniometer and Single-photon Counting Detector http://indico.psi.ch/multiaxisgonio2012 Swiss Light Source, Paul Scherrer Institut, Switzerland Nov. 6th - 8th, 2012 This workshop will address aspects including application of multi-axis

Re: [ccp4bb] electron density peak volume

2012-07-06 Thread Pavel Afonine
Hi Tim, a possible way of thinking about this is: say you have N (=nx*ny*nz) nodes of the grid on which you sampled the map, and the unit cell volume is Vcell, and you are looking at a blob identified at some level. Then the volume of this blob can be defined as Vblob = np*Vcell/N, where np is

Re: [ccp4bb] electron density peak volume

2012-07-06 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Pavel, that's probably how I'd program it, too. Still I am not aware of an existing (command line) program which does that, and I am not sure of its benefit from a users point of view. I can imagine that many programs internally make use of the

Re: [ccp4bb] Problems with CCP4MG

2012-07-06 Thread Stuart McNicholas
On 6 Jul 2012, at 15:10, Regina Kettering wrote: The model is a theoretical model of Q766C3 (nepenthesin 1), link to the download below: http://swissmodel.expasy.org/?pid=smf02source=repositorytid=file_modelmid=7d1184184e0086123cd94070ab861eb2_1 This is a very silly bug in CCP4MG, you

Re: [ccp4bb] electron density peak volume

2012-07-06 Thread Ed Pozharski
On 07/06/2012 09:40 AM, Andrew Pannifer wrote: Hi, Is there a way to ask peakmax to output the volume of each electron density peak that it detects (or is there a reasonably straightforward way to do this via an alternative command line runnable approach?) Cheers, Alan There might be a