#241 Questions regarding Jmol commands

[Farhad Gharagheizi]

Hi

I am using Jmol (14.29 eidtion) and I have a few questions that I ask one by one.
1-
I wonder how I can count aromatic 6-membered-rings (o aromatic n membered-rings) in a custom structure. I tried using the following command but it failed.

x={*}. find("SMARTS","r600")

It seems that Jmol can only calculate aromatic 5- and 6-membered rings. What a bout aromatic n-membered rings?

2-
I wonder how I can count number of n-membered rings. I know that I can use the following command:

{*}.find("[rn]")

But it returns the number of atoms that contribute to n-membered rings. In some cases, some rings share a few atoms and if I use {*}.find("[rn]").length/n it returns wrong number?

3-
I wonder how I can use "metal" atoms in SMARTS or SMILES. Assume, I am going to count the number of occurrences of the following group in a desired structure:
SMILES: CCO[metal]

metal means any metal atoms.

4-
I wonder how can I count number of rings in a structure.
I know that I can use the following command:
{*}.search("[r6]") (i.e. for c6 rings)

Jmol looks return list atoms that have such aromatic rings but it does not retunr number of such rings!
We can use {*}.search("[r6]") .length/6 instead but things become incorrect when there are rings that share commonf bons in a structure (i.e. Anthracene).

5-
I wonder how I can find the index of the maximum elelement in a vector in Jmol?
".max" returns the maximum value but I am looking for the index of the element which equals the maximum.

6-
What is the meaning of "Crystallographic site number"? I could find any detail for such a term on the web.

I would really appreciate if you could help me with those.

Regards