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Support load/save of NBO info
[molby/Molby.git] / Scripts / formula.rb
2022-10-25 Toshi NagataDesciption of LHO/AHO is improved commit | commitdiff
2021-12-20 Toshi NagataEmbedded scripts now contain magic comments to specify... commit | commitdiff
2019-08-17 toshinagata1964NO2, SO (sulfonyl) and SO3H (sulfonic acid) are now... commit | commitdiff
2014-04-03 toshinagata1964sqrt out-of-range error is now avoided in docking a... commit | commitdiff
2014-03-14 toshinagata1964Ruby: Kernel#fw (formula weight) is implemented. commit | commitdiff
2014-02-03 toshinagata1964Embed ruby 2.0 instead of 1.8.7 commit | commitdiff
2011-11-26 toshinagata1964Behavior of paste is improved when two dangling bonds... commit | commitdiff
2011-11-26 toshinagata1964Some typical cyclic structures as well as solvent boxes... commit | commitdiff
2010-05-06 toshinagata1964Add hydrogen was broken; fixed. commit | commitdiff
2010-02-28 toshinagata1964The DISPATOM parameters are renamed to ELEMENT, to... commit | commitdiff
2010-02-24 toshinagata1964Parameter#bond, angle, etc. are no longer implemented... commit | commitdiff
2010-02-18 toshinagata1964Ruby commands now handle the angles (rotation etc.... commit | commitdiff
2010-01-21 toshinagata1964initial import commit | commitdiff
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