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On 28/03/2015 15:47, Ian Tickle wrote:
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On 27 March 2015 at 19:16, Paul Emsley <[log in to unmask]> wrote:

 There might be a python version of these available from the Molprobity server.  It should be straightforward for them to make it if not.

OK after some digging in the MP distribution (i.e. find/xargs/grep) I found that if you use 'multichart-cluster-coot' instead of 'multichart-coot' (same usage) you get both Scheme and Python scripts and the Python one works in WinCoot!

Not sure what the 'cluster' part refers to though (and Google throws no light on it).

Instead of the default (per residue?) mode of molprobity output, the problems are gathered into regions, e.g. the CB deviation of residue A6 is related to (caused by?) the 'low probability' rotamer of residue A67.

Paul.