Packages for short peptide chains



 Hello,
   A few weeks ago I posted the following question:
    Anyone knows if there are good packages that use genetic algorithms or
 simulated annealing to determine minimum structures of small molecules
 (ex: short peptide chains)?  I will post a summary of relevant replies.
   Unfortunately I did not receive many replies. However, I would like to
 thank all those who have so kindly replied my question :)
 ***** Message 1
 From: bernhard # - at - # F3.telekurs.ch (Bernhard Pabsch - Telekurs AG - FLCI)
 Hi,
 did you check out PEACS from the vanGunsteren (GROMOS) group?
 They also hold another new algorithm which uses a list of
 visited conformational places.
 Both are quite powerful new algorithms.
 Cheers
 Bernhard Anton Pabsch            Tel:   +41 (0) 1 279 23 02
 ***** Message 2
 From: jaeger # - at - # 3dp.com (Ed Jaeger)
 In my previous position at Sterling Winthrop, I developed GA drivers
 to both SYBYL and MACROMODEL's BATCHMIN to do conformational analysis
 of small molecules.  I unfortunately do not have access to either of
 these commercial modeling packages and hence I cannot provide you with
 any specific solution but I can say that it has been done.
 I look forward to other relevant responses.
 Ed Jaeger      3-Dimensional Pharmaceuticals, Inc.	      ph:610-458-6052
 jaeger # - at - # 3dp.com 665 Stockton Drive, Suite 104, Exton, PA 19341
 fx:610-458-8249
 ***** Message 3
 From: polowin # - at - # hyper.hyper.com (Joel Polowin)
 >    Anyone knows if there are good packages that use genetic algorithms or
 > simulated annealing to determine minimum structures of small molecules
 > (ex: short peptide chains)?  I will post a summary of relevant replies.
 Our HyperChem software does simulated annealing; it also includes drawing
 functions specifically for contruction of peptide chains.  The conformational
 search module of ChemPlus might also be useful for determining minimum
 structures of such molecules; it works by torsional variations.
 Regards,
 Joel
 ***** Message 4
 From: hcj # - at - # mazda.wavefun.com (Harry C. Johnson)
 Spartan 4.0 from Wavefunction Inc. has four new conformational
 analysis methods, including a genetic algorithm and a Monte Carlo
 approach.
 For more information about Spartan, check out our web page at
 http://wavefun.com.
 -Harry
 Best Regards,
  Loh Chang Shiung, ~{B^UBP[~}  Internet e-mail: mcblab43 # - at - #
 leonis.nus.sg
  Centre for Natural Products Research,      Contact no.: (65) 772 6872
  National University of Singapore.                       (65) 772 7816