Subject: Re: CCL:M:removing dummy atoms

From: "Leonid B. Krivdin" <[email-masked]>
Date: Mon, 24 Feb 97 15:28:51 +0800

>   Does anyone have a suggestion for removing dummy atoms to facilitate
>   display of MOPAC file in PCmodel.
>
>   thanks,
>   Rudy Gostowski

Dear Rudy:

I think that PCM should display your MOPAC output file in the form of
molecular structure with dummy atoms as well. Just remove the begining
of MOPAC output file yourfile.arc leaving MOPAC keywords, title, blank
line and final geometry matrix of internal coordinates. After editing
download the resulted file yourfile.pcm into PCM and have your structure
on the screen. Sorry, if I am not right.
Rgds, LBK.

    ***************************************************
    Dr Leonid B. Krivdin
    Professor of Chemistry

    Angarsk Technological Institute
    60 Chaikovsky Ave.
    Angarsk 665835, Russia

    E-mail: [email-masked]
    ***************************************************

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From: "Leonid B. Krivdin" <[email-masked]>
Date: Mon, 24 Feb 97 15:25:37 +0800

Dear Rudy: