v0.12.0

While working on documentation and tutorials @csbrasnett spotted some suboptimal default values for some CLI options, and promptly fixed them. Thanks Chris!

What's Changed

• CLI defaults were changed to more sensible values:
  • -scfix is now on by default, and can be switched off by using -noscfix. This means adding -scfix is now a no-op, and this CLI flag will be removed in a future release.
  • -ef now has a default value of 700 kJ/mol/nm^2, which is appropriate for martini3, but not martini2, which uses 500.
  • -cys now has default value 'auto', which makes it harder to accidentally forget your cysteine bridges. The old behaviour can be restored using -cys none, which simply removes all cysteine bridges.
• Disulfide bridges nog log a friendly message.

Full Changelog: v0.11.0...v0.12.0

What's Changed

• scfix behaviour change by @csbrasnett in #621
• Log disulfide bridges by @csbrasnett in #625
• Pylint update by @pckroon in #629

Full Changelog: v0.11.0...v0.12.0