Subject: Re: CCL:Dock 4.0 compilation

From: "Ray Crawford" <[email-masked]>
Date: Wed, 22 Apr 1998 21:01:55 +0000

Hi!!

	That is exactly what the problem with elements.h is.  I reported 
this bug back to Kuntz's group about 3 months ago, but apparently, 
they have not fixed it yet.....  Oh well...  It's easy enough to fix 
yourself...

	Ray.

Date:          Wed, 22 Apr 1998 10:55:34 -0700 (PDT)
From:          Arno Papazyan <[email-masked]>
To:            rachelle bienstock <[email-masked]>
Cc:            [email-masked]
Subject:       CCL:Dock 4.0 compilation

Sounds like there are too many continuation lines (the ones that have
"+"s in the 6th column) for the compiler's taste. Unless the compiler
gives you the option of increasing that limit, you'll have to break the
statement into separate pieces.

----------------------------------
Arno Papazyan
Department of Chemistry
University of Southern California
Los Angeles, CA 90089

Phone: (213)740-7671
e-mail: [email-masked]
http://apriori.usc.edu/arno
-----------------------------------

On Wed, 22 Apr 1998, rachelle bienstock wrote:

> Hi-
> 
> I am trying to compile Dock 4.0 on an SGI Octane running Irix 6.4
> and have encountered the following error in the compilation.
> 
>         f77 -O2 -c mol2sdf.f
> "elements.h", line 135: error(2008): too many lines in statement
>        +                        257.00000,      ! 100 FM Fermiuim
>   
> 
> "elements.h", line 134: error(2147): expected a constant
>        +                        252.00000,      !  99 ES
> Einsteinium                                
>                                                                                                    
> ^
> 
> "elements.h", line 134: error(2112): expected a "/"
>        +                        252.00000,      !  99 ES
> Einsteinium                                
>                                                                                                    
> ^
> 
> 3 errors detected in the compilation of "mol2sdf.f".
> *** Error code 2 (bu21)
> *** Error code 1 (bu21)
> 
> Does anyone have any suggestions or recommendations, or has this
> happened to anyone else?
> 
> Thanks, Rachelle
> -- 
> *******************************
> Dr. Rachelle J. Bienstock
> Molecular Modeler and Computational Chemist
> NIH/NIEHS
> 111 T.W. Alexander Drive
> P.O. Box 12233 MD F0-01
> Research Triangle Park, NC 27709
> Tel.: (919) 541-3397
> e-mail: [email-masked] or 
> [email-masked]
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Ray Crawford
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