Hi,

PDBsum can be used for not released co-ordinates as well- by using the 
"generate" option (found on the left panel on the webpage).

Priyamvada

-----Original Message-----
From: Mark J van Raaij [mailto:mjvanra...@cnb.csic.es] 
Sent: Thursday, August 26, 2010 12:46 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] LIGPLOT or similar (quick summary)

Dear All, 

people have pointed me to:
LigPlot+ (http://www.ebi.ac.uk/thornton-srv/software/LigPlus/)

MOE from ChemComp (not free)

PDBSUM (http://www.ebi.ac.uk/pdbsum/): prerun LIGPLOT results, only for 
released pdb coordinates.

looks like I am stuck to Windows for now - at least it runs.

Mark 






On 25 Aug 2010, at 19:51, Mark J van Raaij wrote:

> Dear All,
> 
> Having just installed LIGPLOT under Windows, I find it rather convoluted to 
> run. It has to be run via de command line window, and I try to avoid Windows 
> as much as I can anyway.
> I also tried to install the Unix version on MacOSX, but was not able to get 
> it running properly, probably at least partly due to my relative lack of 
> informatics skills...
> 
> Is there an alternative program that does the same (pref. with MacOSX 
> version)? 
> 
> For the LIGPLOT developers, ideal would be a MacOSX installer (dmg) - I think 
> it would lead to more use of your program.
> 
> Greetings,
> 
> Mark van Raaij

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