Left overs

This page contains a series of directories with FULCHK outputs of WHATCHECK. This page is mainly meant for Elmar, Robbie, Jurgen, to help me find bugs.

• 1brv directory; 1brv PDF
• 2eue directory; 2eue PDF
• 1crn directory; 1crn PDF
• 1crn directory; 2ai0 PDF
• 1crn directory; 1ils PDF

A WHAT IF check report: what does it mean?

First a few general points:

• References in the subsections of the report have been removed. Full references can be found at the end of the full report.
• In a WHAT_CHECK report, each reported fact has an assigned severity, one of:
  -- error:
  Severe errors encountered during the analyzes. Items marked as errors are considered severe problems requiring immediate attention.
  -- warning:
  Either less severe problems or uncommon structural features. These still need special attention.
  -- note:
  Statistical values, plots, or other verbose results of tests and analyzes that have been performed.
  
• In a first scan, it might be nice to be able to run through "Error" messages only, but for a careful examination, all messages must be considered.
• In a WHAT_CHECK report, a residue is identified by:
  - A number. This is the internal sequence number of the residue used by WHAT IF.
  - The residue name. Normally this is a three letter amino acid name.
  - The sequence number, sometimes followed by an insertion code, between brackets. This is the residue number as it was given in the input PDB file.
  - The chain identifier, if applicable. A single character.
  - A model number, if applicable (for NMR structures).
  
• An atom is identified by a residue and an atom name.