Re: generation of small organic molecules on xleap

From: Bill Ross <>
Date: Sun 21 Oct 2001 21:48:53 -0700 (PDT)

        Unit Editor: Checking 'methan'....
        Unit Editor: FATAL: Atom .R<methan 1>.A<C1 1> does not have a type.
        Unit Editor: FATAL: Atom .R<methan 1>.A<C2 2> does not have a type.
        Unit Editor: FATAL: Atom .R<methan 1>.A<H3 3> does not have a type.

        What is wrong here ?
        It looks to me that the atom type could not defined automaticaly.
        I choosed "edit selected atoms" and the table has "type" column and the
        column is missing. Do I have to defined evey atom type MANUALLY ?

Yes - see the atom type definitions on the amber web.

        Or is there any method that this could be done automatically ?

Not yet.

        PS. One more question. Can I magnify the drawings on xleap ?
I believe that holding down the ctl or shift key and a
mouse button while moving the mouse up/down will do this.

Bill Ross
Received on Sun Oct 21 2001 - 21:48:53 PDT
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