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the question, then, is how fast is your FFT on a slide rule? Dexter Kennedy, MD Thumbed from my iPhone On Aug 29, 2011, at 4:01 PM, Paul Smith <[log in to unmask]> wrote: > Okay then, > > Here's the plan for all the software developers out there: > > 1) backport cctbx to fortran (preferably F77) and include all subroutines inline to avoid the use of any external libraries whatsoever > 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). > 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 >>