MOPAC2000 and LinMOPAC1.0 on 1 CD from FUJITSU
- From: "Magda Wilczewska" <magda ( ( at ) )
- Subject: MOPAC2000 and LinMOPAC1.0 on 1 CD from FUJITSU
- Date: Fri, 18 May 2001 14:47:28 +0200
New Molecular Orbital Software Package for Linux from FUJITSU
MOPAC2000 and LinMOPAC1.0 on 1 CD.
LinMOPAC 1.0 provides a simple graphical user interface (GUI) to the
semiempirical computational chemistry program MOPAC2000 version 1.33.
3D molecular visualization and a simple MOPAC setup dialog make running
experiments easy even for inexperienced MOPAC users:
* LinMOPAC reads and displays molecular structures from standard
MOPAC ".dat" files.
* It provides visual controls for running a MOPAC job.
* LinMOPAC displays the final molecular geometry and molecular orbitals
as well as the text MOPAC output file.
* Visual rendering modes allow for wire-frame, ball-and-stick, cylinders,
space-filling molecular structure representations.
* Input files can be edited in text mode.
* No knowledge of MOPAC keywords is required to run LinMOPAC.
* The orbitals can be displayed using different surface representation
in both opaque and transparent models.
New version of MOPAC2000 (MOPAC2000 1.33)
* Bugs fixed
* Improved configuration Interaction module
* Dynamic memory allocation
* Increased speed and accuracy
We would like to invite you to evaluate the new product. Please send your
request for free CD to FQS Poland at ccs ( ( at ) ) fqspl.com.pl or at the
FQS Poland Sp. z o.o.
Palac Pugetów; ul. Starowislna 13-15
31-038 Kraków, Poland
Tel.: (+48 12) 429 43 45
Fax. (+48 12) 429 61 24
e-mail: ccs ( ( at ) ) fqspl.com.pl