AMBER Archive (2000)

Subject: Re: Element

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Oct 31 2000 - 13:26:30 CST


        Does leap includ all the elements of ELSEVIER'S periodic table? It seems
        that some elements do not show on the leap window.
        
Internally it goes up to (elements.h, elements.c):

#define RADON 86

while in the pulldown menu it seems the selection is (xaUnitEditor.rm4)

XaLeap*mElements.wcChildren: eLp eH eHe \
                                        eLi eBe eB eC eN eO eF eNe \
                                        eNa eMg eAl eSi eP eS eCl \
                                        eK eCa eMn eFe eCo eCu eZn eSe \
                                        eBr eRb eAg eCs ePt ePb

It should be easy enough to add new elements to the 'draw atom'
menu, as well as elements.[ch]. Ideally one would like to pop
up a periodic table in xleap instead of the pulldown menu. The
selection was limited to allow easier searching.

Remember that you will need force field terms for new atoms.

Bill Ross