At least for pharmaceutical small molecules, Iodine (I) would be an
important addition to make.
Christopher Bayly
> ----------
> From: Bill Ross[SMTP:ross_at_cgl.ucsf.edu]
> Sent: Tuesday, October 31, 2000 2:26 PM
> To: Yanni.Wang_at_Kvac.UU.SE
> Cc: amber_at_cgl.ucsf.edu
> Subject: Re: Element
>
> 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
>
Received on Wed Nov 01 2000 - 09:05:36 PST
