coordinative bonds

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danielholstein

coordinative bonds

Post by danielholstein » 21 Jun 2010, 10:39

Some members within our working group are still highly interested in having a tool to show coordinative bonds - maybe similar to the H-bond style.
Daniel
AK Stark, Leipzig->Hamburg

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chuebsch
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Re: coordinative bonds

Post by chuebsch » 21 Jun 2010, 10:51

Hello Daniel,

thank you for this suggestion. May I ask a question. Should the program decide its self what a coordinative bond is or do you think the user should be able to click on two atoms to specify them
to be connected via a "coordinative bond"? The first option would be more complicated because one needs a special list of conditions and distances which specify a coordinative bond in a robust way. For the second option it would be necessary to select two atoms at the same time.

Cheers Christian

danielholstein

Re: coordinative bonds

Post by danielholstein » 21 Jun 2010, 16:11

Hello Christian,
the second option with manual atom choice would be brillant.
Cheers
Daniel

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chuebsch
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Joined: 10 Nov 2009, 18:56
Location: Bayreuth

Re: coordinative bonds

Post by chuebsch » 23 Jun 2010, 17:23

There is a new revision for testing in the DL area.
The Version includes a atom selecting mode.
To select more than one atom hold down the Control-Key and click on the atoms.
if only two atoms are selected changes on bonds can be made.
Possible actions will show up in the lower tool bar. Using any filter or hide function in conjunction with the coordinative bond feature can give strange results.
Pressing shift and clicking selects all atoms between the first and the last clicked atom according to the sequence of the input-file.

Here is an example
coordinatvie_bond.jpg
cheers Christian
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