buster-report help: Ligand Analysis

This help page is for buster-report versions after July 2015. This new page is required because marked improvements have been made to the analysis and presentation. Please note that all ligand validation information is now available in the PDF, XML and TSV files produced in addition to the HTML.


Contents


Electron Density Picture

1pmq_01_MapOnly-A_501_electrondensity_movie.gif movie_caption.png

Statistics

The statistics table provides information on the ligand including metrics that are useful in judging the quality of a ligand model:


Mogul Analysis: Overview

1pmq_mogul_overview.png

Mogul Bond and Angle Analysis
Classification Color Criterion
'bad' purple Z > 4
'poor' violet 2.5 < Z < 4
'ok' lime 1.5 < Z < 2.5
'good' green Z < 1.5
'unknown' gray Mogul has not found sufficient similar structures in the CSD to allow analysis

Mogul Dihedral Analysis
Classification Color Criterion
'unusual' violet less than 0.5% of the population can be found with plus/minus ten degrees of the observed torsion angle
'rare" lime between 0.5% and 10% of the population can be found with plus/minus ten degrees of the observed torsion angle
'common' green greater than 10% of the population can be found with plus/minus ten degrees of the observed torsion angle
'unknown' gray Mogul has not found sufficient similar structures in the CSD to allow analysis of this torsion, or the torsion is in a ring

Mogul Ring Analysis
Classification Color Criterion
'bad' purple ringSS > 9°
'poor' violet 6 ° < ringSS < 9 °
'ok' lime 3° < ringSS < 6°
'good' green ringSS < 3°
'unknown' gray Mogul does not find sufficient CSD equivalents for the ring or not part of the ring

Page updated July 2015. Please address problems, corrections and clarifications to buster-develop@globalphasing.com