Subject: Re: CCL:HyperChem

From: "Tamas E. Gunda" <tgunda_at_puma.unideb.hu>
Date: Sun, 10 Oct 2004 00:26:04 +0100

Mr Patrick,

I use HyperChem since version 3 (currently 7.1). generally speaking, I like
Hyperchem and it can be used very good in teaching, although quite
expensive. Sometimes it's argued that it is slow. I do not want to say any
pros or contras because I did not make any serious comparisons with other
program applications using the same hardware. However, there are several
issues which could already have been solved long ago:

1) Its interface would need a face-lift. I do understand that programmers
are reluctant to touch already finished and seemingly permanent modules,
however, there are some options/functions which would greatly help the
user-friendliness of the program, for example:

a) Last opened files in the File menu - should have been implanted several
versions ago.
b) Undo - very needed when editing a molecule and accidental changes should
be reversed. I do know that it is not at all easy to implant into a ready
program, however a simple one-step undo would be also of great help.
c) Rotation/Translation/Zoom modes are available only by the toolbar
buttons. Most other applications use the shift/ctrl/alt + mouse-drag
combinations, which are more flexible and quicker to use.

2) Initialization of File open/save dialogs. Last used open/save paths
should be saved and used when opening the dialogs again. There is a Path tab
in the Preferences, but there is no predefined path for the molecules files,
for the main Open dialog.

There is a predefined default path for the script files, which works for the
Open... option, but not for the Script Editor. Very illogical! As a whole it
is a big nuisance when experimenting with a new script and should open hin
files and script files alternatively.

3) Should have been implanted some support for MODELS of pdb files long ago.
Recently the program inputs the whole file, every structure one above the
other. Because the program does not support the use of MODELS, the input
module should read only the first one. Ditto with multiple Sybyl mol2 files.

4) When exporting in Sybyl format, aromatic bonds are consequently assigned
to amide bonds (in several versions already).

5) The manual is abundant and generally well written. However, I missed a
precise description of the tcl script file commands. There is a very short
tutorial only in the pdf manual. Three web url addresses are given as
references, two of them are already unavailable, and when trying several
commands using the third one, most commands did not function well in
Hyperchem.

Dr. Tamas E. Gunda
Dept. of Pharmaceutical Chemistry
University of Debrecen
POBox 36
H-4010 Debrecen, Hungary

tgunda (AT) puma.unideb.hu

----- Original Message ----- 
From: "Joe Patrick" <patrick_at_hyper.com>
To: <chemistry_at_ccl.net>
Sent: Thursday, October 07, 2004 19:17 PM
Subject: CCL:HyperChem

> Good Day,
>
> I work for Hypercube, Inc. makers of HyperChem.
>
> We would like to hear opinoins from CCL in regards to our software.  If
> you have any experience with or comments about the software, please
> contact me at patrick_at_hyper.com.
>
> Thank you for your time.
>
> Best Regards,
> Joe Patrick
>
>
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