RE: adf geometry transformation

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RE: adf geometry transformation

From: Li, Jun <Jun.Li_at_email.domain.hidden>
Date: Mon, 30 Jun 2003 11:07:21 -0700

Hi, there,
 
Beside more sophisticated ways described in ADF manual, I find the
Blcok-Select-Mode of TextPad is very useful if you don't mind copy-paste
the ADF coordinates. You can save as xyz or cc1 files for Chem3D (chose
"all file" type in TextPad).
 
Jun Li
----------------------------------------------
Jun Li, PhD, Senior Research Scientist
MS K8-91, P.O. Box 999, 3335 Q Avenue,
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Richland, Washington 99352
Tel: (509)376-4354 (O)
Fax: (509)376-0420 (O)
E-mail: jun.li_at_pnl.gov
Web: http://emslbios.pnl.gov/id/li_j
----------------------------------------------

        -----Original Message-----
        From: Yubo Fan [mailto:yubofan_at_mail.chem.tamu.edu]
        Sent: Monday, June 30, 2003 8:45 AM
        To: adf-list_at_scm.com
        Subject: ADF-LIST: adf geometry transformation
        
        
        
        Hi,
        I've started to adf calculations recently. But I have no easy
way to read the optimized geometry into Cerius on Unix or Chem3D on
Windows. Is there any way or small program to do the format
transformation friendly? Thanks in advance.
         
        Yubo
        ============================================================
        Dr. Yubo Fan Email: yubofan_at_mail.chem.tamu.edu
        Department of Chemistry Tel: 1-979-845-7222
        Texas A&M University
        College Station, TX 77843
        ============================================================
Received on 2003-06-30 20:07:23

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