From the Bax Group at the National Institutes of Health ... Add Protons to an Existing PDB Structure (Currently for Proteins Only)

Add Protons to an Existing PDB Structure Contact: Frank Delaglio delaglio@nih.gov

PDB Input: structure with one or more chains of the 20 common amino acids. If multiple models are present, all models will processed. Example: 1UBQ.pdb

Target Distance: The target value for the allowable temporary change in heavy atom coordinates, Angstroms. Likely values are 0.0 to 0.3. Use non-zero values to help resolve steric clashes.

Restore Heavy Atom Coordinates: Select this option to keep the heavy atom coordinates unchanged in the result, even if the target distance above is not zero. Turn this option off to help resolve steric clashes.

Keep REMARKs: Select this option to keep initial header entries from the original input, such as REMARK entries etc.

Keep HETATMs: Select this option to keep any HETATM entries from the original input.

[ Hide Advanced Options ] [ See About this Server for more about how the H atoms are added ]

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last update: Nov 2 2022