Re: [ccp4bb] Structural biology software that does not run on Windows or gives important Windows-specific problems

2016-10-15 Thread Xiao Lei 
We are using Fedora system for pymol and coot 3D. I prefer Mac OSX, but I
have no way of making 3D environment for pymol and coot 3D, I'd like to
know if any lab make the 3D environment work for Mac OS X system.

On Sat, Oct 15, 2016 at 7:45 AM, Robert Oeffner  wrote:

> We build Phenix on all three platforms, i.e. Windows, Linux and MacOSX.
> Microsoft provides great C/C++compilers for free on Windows. One minor
> issue though is that since our software uses Python 2.7 binary
> compatibility with the python2.7 installer requires that the rest of Phenix
> is built with the older VS2008 compiler. That edition doesn't support the
> latest bells and whistles of esoteric C++ language features but this is not
> a showstopper.
>
> Rob
>
>
> Subject:  Re: Structural biology software that does not run on Windows or
> gives important Windows-specific problems
> From:  Patrick Loll 
> Date:  Fri, 14 Oct 2016 12:31:54 -0400
>
> How about the ability to compile code? Are there decent compilers readily
> available for Windows? I like being able to write & compile the occasional
> fortran program {hic sunt dinosaurs}, and it’s easy to do this on a
> unix-based platform like OSX.
>
> If your reasoned arguments fail, I have found that many institutions'
> information technology administrators are easily intimidated by a few
> random references to unix (Rsync! Grep! Bash!). Such words seem to function
> as charms that keep evil spirits (i.e. IT administrators) at bay.
>
> > On 14 Oct 2016, at 11:14 AM, Mark J van Raaij 
> wrote:
> >
> > Dear All,
> >
> > our institution requires me to provide a reasoning not to buy a Windows
> computer (I want to buy a new MacOSX system), so I am looking for software
> that does not run or is limited on Windows.
> >
> > Not available:
> > (Auto)SHARP
> > ARPWARP
> >
> > Available on Windows but with significant limitations
> > Phenix (no MR-Rosetta, no parallelization)
> > CCP4 (limitations on file-names)
> >
> > Please correct me if pertinent and provide additional examples if
> possible.
> >
> > Gratefully yours,
> >
> > Mark
> >
> > Mark J van Raaij
> > Dpto de Estructura de Macromoleculas
> > Centro Nacional de Biotecnologia - CSIC
> > calle Darwin 3
> > E-28049 Madrid, Spain
> > tel. (+34) 91 585 4616
> > http://wwwuser.cnb.csic.es/~mjvanraaij
>

Re: [ccp4bb] Wilson B-factors recorded for all PDB's to 3.5Å

2016-10-15 Thread Robbie Joosten 
Hi Amit,

Calculating the Wilson B at that resolution becomes a bit iffy. So I would be a 
bit careful with drawing any conclusions from it. We have the numbers 
calculated by sfcheck for the pdb_redo databank.

Cheers,
Robbie

Sent from my Windows 10 phone

Van: amit sharma
Verzonden: zaterdag 15 oktober 2016 16:38
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: [ccp4bb] Wilson B-factors recorded for all PDB's to 3.5Å

Hi,
What is the average Wilson B-factor for all single crystal protein structures 
deposited in PDB at 3.5Å? Is there any software or a publication which could 
provide such an estimate?
Thanks,
Amit

Re: [ccp4bb] Structural biology software that does not run on Windows or gives important Windows-specific problems

2016-10-15 Thread Robert Oeffner 
We build Phenix on all three platforms, i.e. Windows, Linux and MacOSX. 
Microsoft provides great C/C++compilers for free on Windows. One minor issue 
though is that since our software uses Python 2.7 binary compatibility with the 
python2.7 installer requires that the rest of Phenix is built with the older 
VS2008 compiler. That edition doesn't support the latest bells and whistles of 
esoteric C++ language features but this is not a showstopper.

Rob


Subject:  Re: Structural biology software that does not run on Windows or gives 
important Windows-specific problems
From:  Patrick Loll 
Date:  Fri, 14 Oct 2016 12:31:54 -0400
 
How about the ability to compile code? Are there decent compilers readily 
available for Windows? I like being able to write & compile the occasional 
fortran program {hic sunt dinosaurs}, and it’s easy to do this on a unix-based 
platform like OSX.

If your reasoned arguments fail, I have found that many institutions' 
information technology administrators are easily intimidated by a few random 
references to unix (Rsync! Grep! Bash!). Such words seem to function as charms 
that keep evil spirits (i.e. IT administrators) at bay.

> On 14 Oct 2016, at 11:14 AM, Mark J van Raaij  wrote:
> 
> Dear All,
> 
> our institution requires me to provide a reasoning not to buy a Windows 
> computer (I want to buy a new MacOSX system), so I am looking for software 
> that does not run or is limited on Windows.
> 
> Not available:
> (Auto)SHARP
> ARPWARP
> 
> Available on Windows but with significant limitations
> Phenix (no MR-Rosetta, no parallelization)
> CCP4 (limitations on file-names)
> 
> Please correct me if pertinent and provide additional examples if possible.
> 
> Gratefully yours,
> 
> Mark
> 
> Mark J van Raaij
> Dpto de Estructura de Macromoleculas
> Centro Nacional de Biotecnologia - CSIC
> calle Darwin 3
> E-28049 Madrid, Spain
> tel. (+34) 91 585 4616
> http://wwwuser.cnb.csic.es/~mjvanraaij

[ccp4bb] Wilson B-factors recorded for all PDB's to 3.5Å

2016-10-15 Thread amit sharma 
Hi,
What is the average Wilson B-factor for all single crystal protein structures 
deposited in PDB at 3.5Å? Is there any software or a publication which could 
provide such an estimate?
Thanks,
Amit