[OpenGrowth] version 1.01
OpenGrowth is a program which constructs de novo ligands for proteins.
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From: Paulette G. <Pau...@sp...> - 2019-05-28 14:10:18
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Hi, The advice is to use version 1.01 but unlike the 1.0.zip directory 1.01 does not contain Linux executables. I have run the test example with version 1.0 and default settings (SMoG2016). The constraint values of many of the generated ligands had very large values in this column. If this corresponds to ligand strain energy shouldn't the values be positive ? Are the large values generated due to VDW scaling settings? Is it possible to have the linux executables for version 1.01. Thanks, Paulette |