Date: Tue, 27 Jan 2004 16:52:23 +0100
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DRAGON Software
Software for the calculation of 1612 molecular descriptors
Version 4.1 - Last update: 27 January 2004
Dear Colleagues,
We would like to remember that DRAGON 4 has been recently updated. The prices are unchanged.
The new DRAGON 4.1 version allows:
a.. Calculations of molecular descriptors also for H-depleted molecules.
In this case, DRAGON will perform the calculations of those molecular descriptors which are H-invariant, i.e. the descriptors which values do not depend on the presence of the Hydrogen atoms (376 descriptors).
Moreover, even 2D-autocorrelation descriptors can be calculated (97 descriptors). Note that when Hydrogen atoms are present, 2D-autocorrelation descriptors are calculated taking into account Hydrogen atoms; therefore their values are different from those obtained from H-depleted molecules.
DRAGON processes only homogeneous file types: in the case H-depleted molecules have been selected, all the molecules containing Hydrogen atoms will be rejected otherwise all the H-depleted molecules will be rejected.
Moreover, other recent improvements concern:
a.. More informative and controlled file and descriptor selections
b.. Descriptors from SMILES format can be calculated using the Evaluation version
c.. Improved reading from Unix/Linux text file format
d.. Various small refinements
To evaluate the new DRAGON version, please follow the instructions below:
1.. Download DRAGON 4 Evaluation version from http://www.disat.unimib.it/chm/DragonModEval.htm
2.. Launch the Setup4.exe file to install DRAGON Evaluation version and run DRAGON
To upgrade your purchased DRAGON version, please follow furtherly the instruction below:
3.. Register your version filling in the registration form (Register icon in DRAGON main form) using your personal codes
To all of you, please follow also the hint below:
4.. Good work!
Feel free to contact me for further information.
Best regards,
Roberto Todeschini
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For purchasing DRAGON
Bank transfer to: TALETE srl (V.A.T. 01472000031) - Italy
Banca Intesa, cc: 86576 / 93
SWIFT code: BCITIT22015
IBAN code: IT02 C030 6909 4840 0000 8657 693
Web site: http://www.telemacus.it/talete
For further information, send e-mail
DRAGON download
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