[ccp4bb] CCP4 GUI problem

2011-11-17 Thread Gohlke, Ulrich
Dear colleagues, I am suddenly having a problem with starting the ccp4 Interface. Logged on as a normal user (username, group users) the Interface window pops up but hangs almost immediately (the top bar says CCP4Interface 2.1.0, the only program tab shown is Coordinate Utilities and the

Re: [ccp4bb] CCP4 GUI

2007-05-11 Thread Clemens Vonrhein
On Thu, May 10, 2007 at 02:46:44PM +0100, Kolstoe S.E. wrote: The most useful aspect of the ccp4i GUI is its automatic generation of com files. However, I would prefer the GUI to output a .com file into my working directory (rather than the obscure location they are saved to now) every time I

Re: [ccp4bb] CCP4 GUI

2007-05-11 Thread Harry Powell
Hi Maybe any parameter setting unchanged from the values in the $CCP4/ccp4i/tasks/*.def file should be internally flagged as being at the 'default value' - resulting in them _not_ being written to the com-file? This way any potential change in defaults inside the actual program would have

Re: [ccp4bb] CCP4 GUI

2007-05-11 Thread Kevin Cowtan
Clemens Vonrhein wrote: One thing I found very confusing though, is that the com-files created by the CCP4i will often have (nearly) all possible keywords set, even if I haven't changed any of the defaults in the gui. Often, a CCP4 program has defaults itself and only requires keywords if one

Re: [ccp4bb] CCP4 GUI

2007-05-11 Thread Phil Evans
I would agree with Clemens that the Scala GUI task generates far too many keyworded commands, for things which have sensible defaults in the program. One problem conundrum for the GUI (because it works by generating a script without actually running the program) is that the GUI has no

[ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors)

2007-05-10 Thread Flip Hoedemaeker
Hi Simon, Well, X-ray crystallography nowadays often, but certainly not always, amounts to running a set of programs with default settings with a few mouse clicks in the GUI. The fun part is knowing when you have to deviate from default, leave the well travelled paths etc. The GUI is

Re: [ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors)

2007-05-10 Thread Nave, C (Colin)
2007 10:21 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors) Hi Simon, Well, X-ray crystallography nowadays often, but certainly not always, amounts to running a set of programs with default settings with a few mouse clicks in the GUI. The fun part

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Charlie Bond
I would add that I have found the CCP4 development team very receptive to being informed about specific improvements which could be made, and even more so to fixes implemented by users themselves. Perhaps an explicit list of the many limitations which need attention would be useful to the

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Flip Hoedemaeker
: Re: [ccp4bb] CCP4 GUI I would add that I have found the CCP4 development team very receptive to being informed about specific improvements which could be made, and even more so to fixes implemented by users themselves. Perhaps an explicit list of the many limitations which need attention would

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Martyn Winn
The level of detail in the GUI is a matter of constant debate. The underlying programs are far far richer, so the question is how much to expose in the GUI. We try to get a balance between ease-of-use and coverage, but it won't always work. BTW I don't think we ever claimed that ccp4i (or anything

[ccp4bb] RE : [ccp4bb] CCP4 GUI suggestion

2007-05-10 Thread Nicolet Stefan
 : jeudi, 10. mai 2007 13:05 À : CCP4BB@JISCMAIL.AC.UK Objet : Re: [ccp4bb] CCP4 GUI This is timely. We're in the process of a) trying to organise a major effort to tidy up the existing ccp4i classic (rather than fire-fighting problems), and b) thinking about designing the next generation. Not sure

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Miguel Ortiz Lombardia
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Martyn, I was thinking in the less scary widgets-based interface for not-so-used options. If possible, I think that all options should be available to the interface. This would make the GUI more consistent, in a way. I know is a lot more work, but

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Kevin Cowtan
Miguel Ortiz Lombardia wrote: I was thinking in the less scary widgets-based interface for not-so-used options. If possible, I think that all options should be available to the interface. My programs at least have a load of options which I put in for the purposes of testing out ideas, which

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Dirk Kostrewa
Hi Martyn, I want to second Miguel: a switch between a basic GUI (could be with even less options) and an advanced and expert GUI that allows access to most and all options that can be used in scripts would be absolutely great! It would allow novice users to do a good job on standard

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Phil Evans
I always liked Kevin's comments on little-used options in the DM documentation Don't use these unless you really know what you are doing. In which case you'd better have a better idea of what you are doing than I do. Phil On 10 May 2007, at 13:07, Kevin Cowtan wrote: Miguel Ortiz

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Dima Klenchin
The level of detail in the GUI is a matter of constant debate. The underlying programs are far far richer, so the question is how much to expose in the GUI. How about the simple and elegant way it is done in Refmac? Tacked under Developers Options is specify an external keyword script file for

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Juergen Bosch
Hi Martyn, how about option c: in each gui window at the lower left corner have a button called Display script, or call it Expert Mode if people feel better as Experts :-) , before running of course. Then people who would like to edit their stuff could do so before running the script. I

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Roger Rowlett
-7935 email: [EMAIL PROTECTED] -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Juergen Bosch Sent: Thursday, May 10, 2007 10:40 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] CCP4 GUI Hi Martyn, how about option c: in each gui window at the lower

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Tim Grune
Date: Thu, 10 May 2007 10:44:13 -0400 Subject: Re: [ccp4bb] CCP4 GUI I think a tweak script button or option (before running) would be an excellent idea. Cheers, ___ Roger S. Rowlett Professor Department of Chemistry Colgate University 13 Oak

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread William Scott
Hi Martyn: I never use the GUI and it scares me, so I probably should just STFU, but that sort of thing has never kept me from pontificating. I often get emails from people asking how to do something with the GUI and they don't believe me, because I've developed a reputation as something of a

Re: [ccp4bb] CCP4 GUI

2007-05-10 Thread Peter Adrian Meyer
Hopefully my offhand remark wasn't taken as a criticism of ccp4i (it wasn't meant as such); but seeing as I don't use it, it's not a place where I could tell someone how to find an option. As developers, we also have to think about long-term maintainability. Options, in particular little-used