TABLE 1.
Software | Geometric analysis | Density fit analysis | Per‐residue analysis | Supports integration | All‐in‐one graphics | Interactive |
---|---|---|---|---|---|---|
Coot (validation menus) | Yes | Yes | Yes | Yes | No | Yes |
MolProbity (web server report) | Yes | No | Yes | Yes | No | No |
Polygon (comprehensive validation) | Yes | Yes | No | No | Yes | No |
wwPDB (validation sliders) | Yes | Yes | No | No | Yes | No |
Iris | Yes | Yes | Yes | Yes | Yes | Yes |
Note: All the programs mentioned have longer run times than Iris, which are exacerbated in some cases by simple, but mandated, manual input. Coot performs all the desired analyses, but provides them in individual horizontally‐scrolled bar charts, rather than an all‐in‐one graphic. Similarly, MolProbity, which performs excellent per‐residue geometric (but not reflections‐based) analyses, provides its output as a vertically‐scrolled table. Polygon and wwPDB both provide an all‐in‐one overview for a model, but not one with residue‐by‐residue analyses.