Re: CCL:HyperChem

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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