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marrink-lab/vermouth-martinize: v0.13.0

Authors: Peter C. Kroon; Fabian Gr\\"unewald; Jonathan Barnoud; Paulo C. T. Souza; Tsjerk A. Wassenaar; Siewert J. Marrink;

marrink-lab/vermouth-martinize: v0.13.0

Abstract

New year, new release! What's Changed Martinize2 can now generate Go contact maps internally, rather than requiring users to rely on external webservers. For this, the semantic around the -go command line flags changed. Be sure to read the documentation and help! internal go contact map by @csbrasnett in https://github.com/marrink-lab/vermouth-martinize/pull/643 It's now possible to specify molecule names using the -name flag. This is particularly useful when coarse-graining a system consisting of multiple proteins one protein at-the-time. Custom molname by @csbrasnett in https://github.com/marrink-lab/vermouth-martinize/pull/634 The documentation now contains much better tutorials. Martinize2 tutorials by @csbrasnett in https://github.com/marrink-lab/vermouth-martinize/pull/635 Fix the generation of spurious #include statements in the top file when using the go model. Go topol header fix by @csbrasnett in https://github.com/marrink-lab/vermouth-martinize/pull/637 Add parameters for lipidated amino acids, developed by P. I. Koukos et al (10.1021/acs.jctc.3c00604). Be sure to always cite the papers martinize2 asks you to! Lipidations by @fgrunewald in https://github.com/marrink-lab/vermouth-martinize/pull/651 Full Changelog: https://github.com/marrink-lab/vermouth-martinize/compare/v0.12.0...v0.13.0

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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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impulse
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