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Input files

  • Upload PDB files from local disk.
  • Retrieve PDB files from the PDB or NDB.
  • Upload kinemages for viewing in KiNG.
  • Upload electron density maps.
  • Retrieve 2Fo-Fc and Fo-Fc (difference) maps from the EDS.
  • Upload custom heterogen dictionaries (for adding hydrogens).

Edit PDB files

  • Remove unwanted chains.
  • Specify crystallographic resolution.

Downgrade PDB to v2.3

  • Downgrade an uploaded PDB to v2.3 (for download only)

Add hydrogens

  • Add missing hydrogens.
  • Optimize H-bond networks.
  • Check for Asn, Gln, His flips.

Analyze all-atom contacts and geometry

  • All-atom steric contacts (clashlist, clash score, contact dots)
  • Protein geometry evaluation (Ramachandran plot, rotamers, Cβ deviations)
  • Nucleic acid geometry (base-phosphate perpendiculars, suite names)
  • Evaulate protein and nucleic acid bond lengths and angles
  • Multi-criterion chart and kinemage displays

Visualize interface contacts

  • Offers detailed control over running Probe to visualize steric interactions.
  • Displaying contacts between two subunits or chains is common, but other uses are possible.

Refit sidechains

  • ALPHA TEST - not for general public use.
  • Automatically refit sidechains based on electron density and all-atom contacts.

Make simple kinemages

  • Make kinemages using basic Prekin scripts.
  • Kinemages can be combined and edited in KiNG with File | Append.
  • KiNG can save modified kinemages to the server with File | Save as.

Fill protein gaps

  • ALPHA TEST - not for general public use.
  • Fill gaps in protein structures automatically.

Analyze all-atom contacts and geometry for ensembles

  • Multi-criterion kinemage for multi-model ensembles

View & download files

  • View the original files you submitted or retrieved from the network.
  • View kinemages, charts, and other files created by MolProbity.
  • Download all files packaged as a ZIP, or individual files one at a time.

Lab notebook

  • See notebook entries made automatically by MolProbity.
  • Annotate automatic entries with notes and comments.
  • Create your own new entries in the notebook.
  • Print the notebook or save it as an HTML page.

Feedback & bugs

  • Report problems with MolProbity or suggestions for improvement.

Save session

  • Save your results from this session and come back later to keep working.
  • Creates a page that can be bookmarked in your web browser.

Log out

  • Destroy all the files created during this session.
  • Start over with a new session, if you want.
  • Free up disk space for other users. (Thanks!)