How to build a 6-mer EDOT chain with alternating (up/down) sulfur orientations?
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Hi everyone,
I am trying to build an EDOT polymer chain consisting of six monomer units. I want the chain to have an alternating conformation where the sulfur atoms flip direction with each subsequent unit (one sulfur pointing up, the next pointing down, etc., in an anti-coplanar arrangement).
Attached are two figures: a 2D representation of what I want and a 3D chain obtained with Polymer Builder tool from SAMSON.
Could anyone guide me on the best way to achieve this in SAMSON?Any tips, workflows, or script snippets would be greatly appreciated!
Thanks in advance.
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Hi @ihosvany ,
One of the best options would be to construct a unit consisting of 2 monomers with alternating conformations using SAMSON editors (move/rotate and build) and use this unit as a new "monomer" for further construction with Polymer Builder. -
Hi @ihosvany ,
One of the best options would be to construct a unit consisting of 2 monomers with alternating conformations using SAMSON editors (move/rotate and build) and use this unit as a new "monomer" for further construction with Polymer Builder.@DmitriyMarin Thanks!
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