... MOVIE = a flag to create a series of structural data which can be show as a movie by the MacIntosh program Chem3D. The data is written to the file IRCDATA. (default=.FALSE.) ---- the following parameters are quite specialized ---PURIFY = a flag to help ...
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Ссылки http://classic.chem.msu.su/gran/gamess/Firefly_input_rev002.pdf -- 1294.1 Кб -- 01.03.2009 Похожие документы
... drawing in multiple-model mode using an # array of points to load causes null pointer exception: # load cyclohexane_movie.xyz;pts = {C5}.split();print pts;draw @{pts.xyz.sub({1 0 0})} "X" # bug fix: quaternion derivative multiplication order # bug fix: 3D ...
... The most energetically favorable motion pathways were selected to produce movies. ... all the dofs, and automatically produces a movie that demonstrates the motion ... to register events and expression levels along the temporal dimension in movies ...
... This file can be generated to contain multiple structures for visualisation as a movie. cssr (.cssr) for input into the Cerius2 interface from Accelrys Inc and other programs. ...
... The graphics program MacMolPlt can display a movie of the entire mechanism, if you join the entire forward and entire backwards trajectory files, while changing the path distance parameter in the reverse part to a negative value. ----- there are five ...
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Ссылки http://erg.biophys.msu.ru/~comcon1/qmdata/gamess-us-input-2014dec.pdf -- 1427.1 Кб -- 05.04.2015 Похожие документы