[ccp4bb]: Re: [ccp4]: Can't run Molrep from within the GUI

[Alexei Vagin <alexei@ysbl.york.ac.uk>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

> Alun Ashton wrote:
> 
> Hi Hay,
> 
> This is hopefully an easy one. you are not running the CCP4 distributed
> version of Molrep. you are running version 'Vers 7.4.02' whilst CCP4 is
> only distributing version 7.3.03. I can only assume that you have
> downloaded a version directly from Alexei Vagin in york and as a result
> this it is not compatible with CCP4i.
> 
> If you wish to run molrep from within CCP4i you will need to make sure
> that ccp4i is picking up the CCP4 distributed version of Molrep. Let me
> know if you want help on this. but you will need to send me the output
> from "echo $PATH" and the location of the CCP4 distribution and where you
> have installed the newer version of molrep.
> 
> I'm ccing this to Alexei for information.
> 

Dear users,

unfortunately (by some circumstances) now there are
two versions of MOLREP:

1. original MOLREP. You can find it in my home page:
http://www.ysbl.york.ac.uk/~alexei/

2. derivative version which distriuted by CCP4
(but last this version also you can find in my home page
 including the files for ccp4i)


Main difference is how program manages MTZ file and
also command file is rather different. But only this
version you can use with ccp4i.

So, if you like to use MOLREP by dialogue or by command
file the best is original version.

If you like ccp4i, use CCP4 version. But if you want
to use last newer molrep features by ccp4i you can
download corresponding version from my home page.


Also both versions are available from ftp site:
ftp.ysbl.york.ac.uk (user: anonymous)

1. original version:

source code:

 pub/alexei/molrep.tar.gz

binaries:

 pub/alexei/bin/molrep_sgi.gz
 pub/alexei/bin/molrep_alpha.gz
 pub/alexei/bin/molrep_linux.gz

2. CCP4 version:

source code:

 pub/alexei/ccp4/molrep_ccp4.tar.gz

binaries:

 pub/alexei/ccp4/molrep_ccp4_sgi.gz
 pub/alexei/ccp4/molrep_ccp4_alpha.gz
 pub/alexei/ccp4/molrep_ccp4_linux.gz

and four files for CCP4i:

 pub/alexei/ccp4/molrep.com
 pub/alexei/ccp4/molrep.def
 pub/alexei/ccp4/molrep.script
 pub/alexei/ccp4/molrep.tcl

Sorry for this situation with two versions.
Believe me I am not happy and I am rather disappointed
with this. If I will be alive and available to create
molrep8 I will try to solve this problem.

Best regards
Alexei

-- 
---------------------------------------------------------------
Alexei A. Vagin, Chemistry Department YSBL, University of York,
Heslington, York YO10 5YW, UK; Tel: +44(1904) 328251, Fax: +44(1904)
328266
http://www.ysbl.york.ac.uk/~alexei/