[ccp4bb] How to run ccp4 in php script?

Hi All, I have some scripts which need to use some programs--like cad, refmac--in ccp4, and I want to use a php script to run these scripts, with command as : $cmd =" sh aa.inp"; system($cmd); As I know, when I use php script, the account is Apache, which is a nologin account,

Re: [ccp4bb] How to run ccp4 in php script?

Hi Yang Li: I don't know anything about php, but I think I recognize the problem. Typically, when you execute a unix command from a scripting language, it's like doing it in a subshell; the command executes and the subshell exits. So what you need to do is to figure out how to execute all of your

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Re: [ccp4bb] How to run ccp4 in php script?

Hi Yang Li Are you sure it's not just a file permission problem? If the Apache account does not have read access to /home/prog then even if you make a local copy of ccp4.setup so Apache can read it, the script will report that the directory /home/prog/ccp4/ does not exist. In fact if Apache does

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Birkbeck University of London are offering 6 scholarships in association with the Association of Commonwealth Universities. These scholarships offer heavily reduced fees on our web based MSc in Structural Biology. Candidates must be commonwealth citizens and working in a developing commonwealth

[ccp4bb] twwining operator

hello I have a data set to 2.4 A, which has space group of *P21 *. From the cumulative intensity distribution graph, indicates that data is twinned . To run the detwin program in ccp4, one has to know the twinning operator. Can anybody help me, how can I get the twinning operator for

Re: [ccp4bb] twwining operator

Well there are no general twinning operators for a monoclinic space group (e.g. like P3, P4) but there are two special cases which come to mind: * beta=90 in which case the twinning operator is something like (h,-k,-l) - pseudo primitive orthorhombic. * where the monoclinic lattice lengths cons

[ccp4bb] Molecular Replacement of a Known Anomalous Substructure

Many times when we search for anomalous scatterers, we have some a priori info about their relative positions. For example, many proteins have sequence-adjacent methionines, which tether the anomalous scattering positions to certain distances. Again, there are many heavy atom derivatives which have

[ccp4bb] unstable performance of refmac. any suggestions?

Dear all, I got some strange problems with the refmac. The whole ccp4 package was newly downloaded to my laptop( window, off-line installation),including ccp4mg and coot. First, refmac randomly fails to complete task( as shown as below). "randomly" means it failed one time, but will run thro

[ccp4bb] calc. of rots to align recip. space axes w/ beam

are there any free programs which, given a diffraction image, will calculate the rotations necessary to align any of the reciprocal space axes w/ the beam? i looked through mosflm and dataman, so unless i missed it... -bryan

Re: [ccp4bb] calc. of rots to align recip. space axes w/ beam

d*TREK does this - it's dtorient program works for any goniometer as well. Or use CrystalClear which came with the detectors at U of Texas. You probably have both these programs already. Jim On Mon, 21 May 2007, Bryan W. Lepore wrote: are there any free programs which, given a diffraction ima