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marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
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Cgsmiles 1 #377

Open fgrunewald opened 3 weeks ago

fgrunewald commented 3 weeks ago

Adding CGSmiles strings as option to describe polymer graphs.

This PR needs to wait until the CGSmiles package is advanced a little more but in principle works.