From: Nick G. <ngr...@li...> - 2005-04-27 21:55:08
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> Is it possible to change the default bond tolerance so that bonds are =20= shown (or not) as required? In the Java app version of Jmol this is =20 achieved by a slider but I don't know if the web based version can be =20= controlled in this way. Perhaps a parameter with a value 0-1 =C5 as in the app?? > Jmol does use the covalent radii to determine bonding when no =20 > charge data > is present. > > It uses the ionic bonding radii when charge data is present. > > For each atom it gets the bondingRadius (based upon the rules above) > > if ((distance < (bondingRadiusA + bondingRadiusB + 0.45) && > (distance > 0.4)) > form a bond All the best Nick --=20 WWW Pages: http://www.liv.ac.uk/Chemistry/Staff/greeves.html Tel: +44 (0)151-794-3506 (3500 secretary, 7886 voice mail) |