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

[Mark J van Raaij]

Summary that I am going to use to justify buying MacOSX instead of Windows (in 
case this is of use to others):

Not available in Windows:
ADXV for looking at crystallographic diffraction images
XDS and HKL2000 for crystallographic data processing
(Auto)SHARP for phasing
ARPWARP for automated model building
(Auto)BUSTER for structure refinement
Uppsala Software Factory programs (Mapman, etc.), manipulation of maps and PDB 
files
Cryo-EM software (EMAN2, BSOFT)
 
Available in Windows but with important limitations:
Phenix (no MR-Rosetta, no parallelization)
DIALS (no parallelization)

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

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

[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

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

[George Sheldrick]

Just for the record, the Fortran sources for all the SHELX programs are 
identical for Windows (32 or 64 bit), Linux (32 or 64 bit) and MacOSX 
(always 64 bit) except for one line that I need to comment out for 
Windows. I use the Intel ifort compiler for all these platforms. I pay 
the commercial license fee because SHELX is also used by a few firms, 
but I understand that the ifort compiler is now free for academic use. 
Most of my programs use the Intel MKL numerical library that however 
costs money, but I am working on eliminating it. I do all the 
development under 64-bit SUSE Linux and simply compile for the other 
platforms.


George



On 10/14/2016 06:43 PM, Harry Powell wrote:

Hi

On this point, I have (for many years) built my Windows executables on 
a Mac with a cross-compiler; it is possible to install MinGW on a 
Windows box and have gcc, g++, gfortran available. If you want X 
windows & the compilers, you could install Cygwin. However, I'd prefer 
to use a proper Unix-style environment...


On 14 Oct 2016, at 17:31, Patrick Loll > wrote:


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.


Harry
--
Dr Harry Powell
Chairman of International Union of Crystallography Commission on 
Crystallographic Computing
Chairman of European Crystallographic Association SIG9 
(Crystallographic Computing)


On 14 Oct 2016, at 17:31, Patrick Loll > wrote:


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 
mailto:mjvanra...@cnb.csic.es>> 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 





---
Patrick J. Loll, Ph. D.
Professor of Biochemistry & Molecular Biology
Drexel University College of Medicine
Room 10-102 New College Building
245 N. 15th St., Mailstop 497
Philadelphia, PA  19102-1192  USA

(215) 762-7706
pat.l...@drexelmed.edu 



--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or -33068
Fax. +49-551-39-22582

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

[Robbie Joosten]

I’ve made simple native Windows programs in fortran. There are proper compilers 
that run without the hassle of crosscompiling.

Cheers,
Robbie

Sent from my Windows 10 phone

Van: Patrick Loll<mailto:pat.l...@drexel.edu>
Verzonden: vrijdag 14 oktober 2016 18:32
Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Onderwerp: Re: [ccp4bb] Structural biology software that does not run on 
Windows or gives important Windows-specific problems

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



---
Patrick J. Loll, Ph. D.
Professor of Biochemistry & Molecular Biology
Drexel University College of Medicine
Room 10-102 New College Building
245 N. 15th St., Mailstop 497
Philadelphia, PA  19102-1192  USA

(215) 762-7706
pat.l...@drexelmed.edu

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

[Anindito Sen]

Just to add to Hernando’s comments
BSOFT and EMAN2 runs on both Macs and LINUX. However its much easier to use 
them on Macs because of the library issues for different flavors of LINUX.

Best 

Andy
 

> On Oct 15, 2016, at 1:31 AM, Hernando J Sosa  
> wrote:
> 
> Most software used for cryo-em analysis (e.g. EMAN2,  Relion, Spider, 
> Frealign etc)  runs better or only in Linux.  
>  
> Best
>  
> Hernando
>  
> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK 
> <mailto:CCP4BB@JISCMAIL.AC.UK>] On Behalf Of Robbie Joosten
> Sent: Friday, October 14, 2016 11:55 AM
> To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@jiscmail.ac.uk>
> Subject: Re: [ccp4bb] Structural biology software that does not run on 
> Windows or gives important Windows-specific problems
>  
> Windows 10 now allows a full Ubuntu within Windows. It actually works quite 
> easily.
>  
> There is a good rsync for windows. I use it to make back-ups of the pdb_redo 
> databank. Windows has it own system of incremental backups which works well 
> in my hands. There are two scripting systems in Windows batch and PowerShell. 
> Batchs is fun for simple things, PowerShell is extremely powerful and scarily 
> object oriented for maintenance and administration, not for scientific work.
>  
> That said, I would totally use linux for scientific work, except writing and 
> spreadsheet work.
>  
> Cheers,
> Robbie 
>  
>  
> Sent from my Windows 10 phone
>  
> Van: Tim Gruene <mailto:tim.gru...@psi.ch>
> Verzonden: vrijdag 14 oktober 2016 17:23
> Aan: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK>
> Onderwerp: Re: [ccp4bb] Structural biology software that does not run on 
> Windows or gives important Windows-specific problems
>  
> Dear Mark,
> 
> XDS does not run on Windows, and even if you take your mtz-file home from the 
> synchrotron nowadays, you sometimes may want to re-refine some data set.
> 
> Windows also costs a lot of money, and if you do a lot of scripting, Windows 
> may be cumbersome. WinCoot is also often mentioned with difficulties that 
> don't occur with Coot. If you like incremental backups to save disk space and 
> time, I am not sure rsnapshot/rsync works with a Windows file system. 
> 
> A windows machine may also impede data exchange with other institutions. Eg. 
> downloading data from https://data.sbgrid.org/ <https://data.sbgrid.org/> is 
> based on rsync, and if I 
> gave you my usb-stick, Windows would only attempt to format it (well, same 
> would most likely happen with Mac OS X).
> 
> One caveat though: the MS Office version for Mac does not read OpenOffice 
> Format, so I was told.
> 
> Greetings,
> Tim
> 
> On Friday, October 14, 2016 05:14:46 PM 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 
> > <http://wwwuser.cnb.csic.es/~mjvanraaij>
> -- 
> --
> Paul Scherrer Institut
> Dr. Tim Gruene
> - persoenlich -
> Principal Investigator
> Biology and Chemistry
> OFLC/102
> CH-5232 Villigen PSI
> 
> Phone: +41 (0)56 310 5297
> 
> GPG Key ID = A46BEE1A
> 

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

[Harry Powell]

Hi

On this point, I have (for many years) built my Windows executables on a Mac 
with a cross-compiler; it is possible to install MinGW on a Windows box and 
have gcc, g++, gfortran available. If you want X windows & the compilers, you 
could install Cygwin. However, I'd prefer to use a proper Unix-style 
environment...

> On 14 Oct 2016, at 17:31, Patrick Loll  wrote:
> 
> 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.

Harry
--
Dr Harry Powell
Chairman of International Union of Crystallography Commission on 
Crystallographic Computing
Chairman of European Crystallographic Association SIG9 (Crystallographic 
Computing) 

> On 14 Oct 2016, at 17:31, Patrick Loll  wrote:
> 
> 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
> 
> 
> 
> ---
> Patrick J. Loll, Ph. D.  
> Professor of Biochemistry & Molecular Biology
> Drexel University College of Medicine
> Room 10-102 New College Building
> 245 N. 15th St., Mailstop 497
> Philadelphia, PA  19102-1192  USA
> 
> (215) 762-7706
> pat.l...@drexelmed.edu

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

[Hernando J Sosa]

Most software used for cryo-em analysis (e.g. EMAN2,  Relion, Spider, Frealign 
etc)  runs better or only in Linux.

Best

Hernando

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Robbie 
Joosten
Sent: Friday, October 14, 2016 11:55 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Structural biology software that does not run on Windows 
or gives important Windows-specific problems

Windows 10 now allows a full Ubuntu within Windows. It actually works quite 
easily.

There is a good rsync for windows. I use it to make back-ups of the pdb_redo 
databank. Windows has it own system of incremental backups which works well in 
my hands. There are two scripting systems in Windows batch and PowerShell. 
Batchs is fun for simple things, PowerShell is extremely powerful and scarily 
object oriented for maintenance and administration, not for scientific work.

That said, I would totally use linux for scientific work, except writing and 
spreadsheet work.

Cheers,
Robbie


Sent from my Windows 10 phone

Van: Tim Gruene<mailto:tim.gru...@psi.ch>
Verzonden: vrijdag 14 oktober 2016 17:23
Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Onderwerp: Re: [ccp4bb] Structural biology software that does not run on 
Windows or gives important Windows-specific problems

Dear Mark,

XDS does not run on Windows, and even if you take your mtz-file home from the
synchrotron nowadays, you sometimes may want to re-refine some data set.

Windows also costs a lot of money, and if you do a lot of scripting, Windows
may be cumbersome. WinCoot is also often mentioned with difficulties that
don't occur with Coot. If you like incremental backups to save disk space and
time, I am not sure rsnapshot/rsync works with a Windows file system.

A windows machine may also impede data exchange with other institutions. Eg.
downloading data from https://data.sbgrid.org/ is based on rsync, and if I
gave you my usb-stick, Windows would only attempt to format it (well, same
would most likely happen with Mac OS X).

One caveat though: the MS Office version for Mac does not read OpenOffice
Format, so I was told.

Greetings,
Tim

On Friday, October 14, 2016 05:14:46 PM 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
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI

Phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A

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

[Patrick Loll]

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



---
Patrick J. Loll, Ph. D.  
Professor of Biochemistry & Molecular Biology
Drexel University College of Medicine
Room 10-102 New College Building
245 N. 15th St., Mailstop 497
Philadelphia, PA  19102-1192  USA

(215) 762-7706
pat.l...@drexelmed.edu

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

[Roger Rowlett]

Except for graphics-intensive programs (e.g., Coot, Pymol), it is 
possible to run Linux within a VM in windows, and you can even share 
files with the other OS. I actually do it the other way 'round, running 
Windows in Linux via wine to have a one-box solution for processing data 
from our Oxford Diffraction instrument for which the software, 
CrysalisPro (unfortunately) runs only on Windows at the present.


I would personally find doing my entire workflow in Windows somewhat 
excruciating, especially for maintaining multiple student workstations 
and data servers. Linux is much easier to maintain for protein 
crystallography work, I think, for a variety of reasons.


___
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346

tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu

On 10/14/2016 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] Structural biology software that does not run on Windows or gives important Windows-specific problems

[Robbie Joosten]

Windows 10 now allows a full Ubuntu within Windows. It actually works quite 
easily.

There is a good rsync for windows. I use it to make back-ups of the pdb_redo 
databank. Windows has it own system of incremental backups which works well in 
my hands. There are two scripting systems in Windows batch and PowerShell. 
Batchs is fun for simple things, PowerShell is extremely powerful and scarily 
object oriented for maintenance and administration, not for scientific work.

That said, I would totally use linux for scientific work, except writing and 
spreadsheet work.

Cheers,
Robbie


Sent from my Windows 10 phone

Van: Tim Gruene<mailto:tim.gru...@psi.ch>
Verzonden: vrijdag 14 oktober 2016 17:23
Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Onderwerp: Re: [ccp4bb] Structural biology software that does not run on 
Windows or gives important Windows-specific problems

Dear Mark,

XDS does not run on Windows, and even if you take your mtz-file home from the
synchrotron nowadays, you sometimes may want to re-refine some data set.

Windows also costs a lot of money, and if you do a lot of scripting, Windows
may be cumbersome. WinCoot is also often mentioned with difficulties that
don't occur with Coot. If you like incremental backups to save disk space and
time, I am not sure rsnapshot/rsync works with a Windows file system.

A windows machine may also impede data exchange with other institutions. Eg.
downloading data from https://data.sbgrid.org/ is based on rsync, and if I
gave you my usb-stick, Windows would only attempt to format it (well, same
would most likely happen with Mac OS X).

One caveat though: the MS Office version for Mac does not read OpenOffice
Format, so I was told.

Greetings,
Tim

On Friday, October 14, 2016 05:14:46 PM 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
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI

Phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A

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

[Tim Gruene]

Dear Mark,

XDS does not run on Windows, and even if you take your mtz-file home from the 
synchrotron nowadays, you sometimes may want to re-refine some data set.

Windows also costs a lot of money, and if you do a lot of scripting, Windows 
may be cumbersome. WinCoot is also often mentioned with difficulties that 
don't occur with Coot. If you like incremental backups to save disk space and 
time, I am not sure rsnapshot/rsync works with a Windows file system. 

A windows machine may also impede data exchange with other institutions. Eg. 
downloading data from https://data.sbgrid.org/ is based on rsync, and if I 
gave you my usb-stick, Windows would only attempt to format it (well, same 
would most likely happen with Mac OS X).

One caveat though: the MS Office version for Mac does not read OpenOffice 
Format, so I was told.

Greetings,
Tim

On Friday, October 14, 2016 05:14:46 PM 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
-- 
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
Principal Investigator
Biology and Chemistry
OFLC/102
CH-5232 Villigen PSI

Phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A



signature.asc
Description: This is a digitally signed message part.

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

[Eugene Osipov]

Dear Mark,
I think XDS (diffraction image processing) is the best example. It runs
only on Mac and Linux machines

2016-10-14 18:14 GMT+03:00 Mark J van Raaij :

> 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
>



-- 
Eugene Osipov
Junior Research Scientist
Laboratory of Enzyme Engineering
A.N. Bach Institute of Biochemistry
Russian Academy of Sciences
Leninsky pr. 33, 119071 Moscow, Russia
e-mail: e.m.osi...@gmail.com