NOTES:
In the original structure, Asn46 has a terminal carboxylic acid group.
The hydrogen atom is in the wrong position - it is too close to one of the
hydrogen atoms on the guanine group of Arg10.
The carboxylic
acid hydrogen is moved in two steps: A bond is created between it and the
nitrogen atom it is to be bonded to, and the bonds it currently makes are
broken. Then the geometry is optimized using a simple MM method.
In this example there are pauses of two seconds. These pauses allow
the steps to be seen. In normal use, the pauses would not be used,
and the process would be fast.
Details, read: "Move_a_hydrogen_atom.txt" |