Paul Smith wrote:
> 2) ditch all gui support or, from scratch, develop a gui front-end that uses none of the following: Qt, Ruby, Perl, Python, TK/TCl, etc. This gui must compile and run on all mainstream hardware on all major operating systems. The custom gui might also need a custom driver for maximizing the capabilities of modern GPU's for 3D work, but shouldn't make use of any existing shading/tiling/rendering methods (like openGL).
I know you were joking, but I'm all in favor of dropping gui's for tasks
that don't involve dealing with graphical data (models, maps or
diffraction images). It's usually faster to learn new software with a
gui; but it often seems to result in users not reading the documentation
- which may contribute to newcomers to crystallography using software to
produce structures without understanding what the magical black box is
doing (aka the clickey-button effect; which seems to pop up every time
there's a discussion of a retracted paper/problematic structure).
But I don't have a slide rule, so my opinion on these matters may be
invalid.
Pete
> 3) scratch all binary formats (mtz,ccp4map,etc.) due to interoperability issues/dependencies. Everything in flat text (if you like, all variables can have four letters and can be followed by a flag/switch consisting of an integer or two, perhaps negative, to control software behavior).
> 4) abandon rapid software development afforded by modular, object oriented programming.
>
> Sounds good to me.
>
> Seriously however, I do like how well-coded monolithic executables simply work once compiled without fuss. I also like the speed and power afforded by using a well thought out toolkit of practical modules, a la PHENIX. I guess I can't have it all. Personally, if you really need windows, I second the idea of a VM running a linux environment. It's vastly simpler to install mature linux binaries within a VM then fight to get all of modern crystallographic software to run under windows. Even better, the other way around -- run linux native and windows in a VM.
>
> For the record:
> Shelx is awesome
> Fortran is a perfectly good programming language
> I keep a slide rule in my desk.
>
> --Paul
>
> Paul Smith, Ph.D. -- [log in to unmask]
> - Memorial Sloan-Kettering Cancer Center
> - New York Institute of Technology
> - www.paladinscientific.com
>
>
>
> --- On Mon, 8/29/11, George M. Sheldrick <[log in to unmask]> wrote:
>
>> From: George M. Sheldrick <[log in to unmask]>
>> Subject: Re: [ccp4bb] Windows 7 and Xtal Software
>> To: [log in to unmask]
>> Date: Monday, August 29, 2011, 3:12 PM
>> It is simply a result of the 'zero
>> dependency' philosophy. In other words, the
>> exact opposite of current trends in crystallographic
>> computing (e.g. Phenix/CCTBX).
>>
>> George
>>
>> On Mon, Aug 29, 2011 at 12:39:16PM -0500, Jacob Keller
>> wrote:
>>> You know, why does your software always seem so clean?
>> Was it
>>> something about the punch cards?
>>>
>>> Jacob
>>>
>>> On Mon, Aug 29, 2011 at 12:29 PM, George M. Sheldrick
>>> <[log in to unmask]>
>> wrote:
>>>> The current SHELX binaries (including the
>> beta-test multi-CPU SHELXD) all
>>>> appear to run fine under Windows 7. There is no
>> need to use a virtual box etc.
>>>> George
>>>>
>>>> On Sun, Aug 28, 2011 at 11:53:05PM -0700, Nat
>> Echols wrote:
>>>>> On Sun, Aug 28, 2011 at 7:23 PM, Jacob Keller
>> <[log in to unmask]>
>>>>> wrote:
>>>>>
>>>>> are there any additional problems or
>> known issues running ccp4 or
>>>>> other xtal software on windows 7
>> (beyond those of Vista, etc.?)
>>>>>
>>>>> Phenix, ARP/wARP, and HKL2000 do not run on
>> Windows. I'm pretty sure none of
>>>>> Global Phasing's software does either (aside
>> from web interfaces).
>>>>> -Nat
>>>> --
>>>> Prof. George M. Sheldrick FRS
>>>> Dept. Structural Chemistry,
>>>> University of Goettingen,
>>>> Tammannstr. 4,
>>>> D37077 Goettingen, Germany
>>>> Tel. +49-551-39-3021 or -3068
>>>> Fax. +49-551-39-22582
>>>>
>>>
>>>
>>> --
>>> *******************************************
>>> Jacob Pearson Keller
>>> Northwestern University
>>> Medical Scientist Training Program
>>> cel: 773.608.9185
>>> email: [log in to unmask]
>>> *******************************************
>>>
>> --
>> Prof. George M. Sheldrick FRS
>> Dept. Structural Chemistry,
>> University of Goettingen,
>> Tammannstr. 4,
>> D37077 Goettingen, Germany
>> Tel. +49-551-39-3021 or -3068
>> Fax. +49-551-39-22582
>>
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