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Elie Moujaes

Building certain polymers

Hello,

I am using Polymer Builder for the first time. I am trying to build teo polymers. One of them is called PE-OC6ImCl (made up of O, Cl anions, N and the aromatic benzene like hexagons) and the other is TBT-OC6ImCl (made up of N,S, O and Cl together with the aromatic benzene like hexagons). (1) Are these implemented in polymer Builder? If not, is there a way that Polymer builder outputs the coordinates of the positions of the atoms?

(2) The structures I have are oligomers. Can I specifiy how many monomers there will be, or repeated structures.

Thanks for your help

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    Benjamin P Haley

    Hi, Thanks for using !PolymerModeler. The polymers you listed are not implemented in the tool, but you can upload arbitrary monomers in z-matrix format. You can use tools like Babel to create the z-matrix files, then upload the monomers and specify

    how those monomers are used to build chains (e.g. repeated in a pattern).

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