Dear Jmol Developers List,
I am a newbie in Jmol source code. Currently I am interestedin an NERF (natural
extension reference frame) algorithm from a program whichis, for example, used
to convert a Zmatrix into Cartesian coordinates. So thatone can manipulate
bondlength, angle, dihedral plane of a chemical system quiteeasily.
>From NERF algorithm I could generate a series of geometries.For example, if I
>am interested in changing a BOND LENGTH between two atoms, aslider movement
>can generate a series of XYZ type of geometries of these process.
My question is: How I can effectively display this series of geometries inJMOL?
Actually I tried the ‘read from the file’ method in a thread. That is, in first
export the series of geometries into files and used ‘ load file1.xyz; zap;load
file2.xyz; zap…” . But then the display of changing the bond length is
actuallynot smooth and seems slow for large molecules. Actually I am looking a
smoothermethod.
Does anyone have any suggestions regarding this? Is anymethod in Jmol is
available to Update the geometry internally rather to use a series of
‘loadfilename.xyz…’
Thanks in advanceKrishna Mohan
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