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... interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats.
If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10;
DOI: 10.1186/s13321-015-0060-z
Least-squares fit of amylopectin chain-length distribution
This FORTRAN program package finds the parameters involved in amylopectin chain-length distribution (CLD) biosynthesis by fitting experimental CLD data to a model which incorporates the underlying starch biosynthesis.
The amylopectin CLD biosynthesis model used by this program is explained in the article “A Parameterized Model of Amylopectin Synthesis provides key insights into the Synthesis of Granular Starch”, by Alex Chi Wu, Matthew K. Morell and Robert G. Gilbert.
The downloadable...