From: jenheta da s. <je...@gm...> - 2012-09-05 23:22:53
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Thanks a lot ! On Wed, Sep 5, 2012 at 4:54 PM, Robert Hanson <ha...@st...> wrote: > Oh, sure. > > print {1/1 0 0} > print {0 1/1 0} > print {0 0 1/1} > > The "/" indicate we are using fractional coordinates. For example, we > could also say: > > print {1/2 0 0} > > Bob > > > On Wed, Sep 5, 2012 at 11:37 AM, jenheta da silva <je...@gm...>wrote: > >> Thank you, Bob. >> >> I was not clear on my post. >> We are actually trying to output the Cartesian coordinates of the lattice >> vectors. >> Is there a way to print these coordinates at the console window ? >> >> Thanks, >> >> Jen >> >> >> On Wed, Sep 5, 2012 at 12:13 AM, Robert Hanson <ha...@st...>wrote: >> >>> axes unitcell >>> axes on >>> >>> >>> On Mon, Sep 3, 2012 at 8:09 PM, jenheta da silva <je...@gm...>wrote: >>> >>>> Hi Jmol users, >>>> >>>> >>>> After loading a pdb (or xyz, cif, etc) file and specifying its crystallographic >>>> >>>> data using the {a b c alpha beta gamma} notation, is it possible >>>> >>>> to print out the respective three lattice vectors ? According to a older post, >>>> >>>> Jmol can read these vectors as input but we have not found out yet >>>> >>>> how to print them. >>>> >>>> >>>> Thanks, >>>> >>>> >>>> Jen >>>> >>>> >>>> >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> Live Security Virtual Conference >>>> Exclusive live event will cover all the ways today's security and >>>> threat landscape has changed and how IT managers can respond. >>>> Discussions >>>> will include endpoint security, mobile security and the latest in >>>> malware >>>> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ >>>> _______________________________________________ >>>> Jmol-users mailing list >>>> Jmo...@li... >>>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>>> >>>> >>> >>> >>> -- >>> Robert M. Hanson >>> Larson-Anderson Professor of Chemistry >>> Chair, Chemistry Department >>> St. Olaf College >>> Northfield, MN >>> http://www.stolaf.edu/people/hansonr >>> >>> >>> If nature does not answer first what we want, >>> it is better to take what answer we get. >>> >>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 >>> >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> Live Security Virtual Conference >>> Exclusive live event will cover all the ways today's security and >>> threat landscape has changed and how IT managers can respond. Discussions >>> will include endpoint security, mobile security and the latest in malware >>> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ >>> _______________________________________________ >>> Jmol-users mailing list >>> Jmo...@li... >>> https://lists.sourceforge.net/lists/listinfo/jmol-users >>> >>> >> >> >> ------------------------------------------------------------------------------ >> Live Security Virtual Conference >> Exclusive live event will cover all the ways today's security and >> threat landscape has changed and how IT managers can respond. Discussions >> will include endpoint security, mobile security and the latest in malware >> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ >> _______________________________________________ >> Jmol-users mailing list >> Jmo...@li... >> https://lists.sourceforge.net/lists/listinfo/jmol-users >> >> > > > -- > Robert M. Hanson > Larson-Anderson Professor of Chemistry > Chair, Chemistry Department > St. Olaf College > Northfield, MN > http://www.stolaf.edu/people/hansonr > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > > > ------------------------------------------------------------------------------ > Live Security Virtual Conference > Exclusive live event will cover all the ways today's security and > threat landscape has changed and how IT managers can respond. Discussions > will include endpoint security, mobile security and the latest in malware > threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > |