[Moltalk-announce] MolTalk new Version 1.2

[moltalk-announce@bioinformatics.org]

All,

I have the pleasure to announce MolTalk Version 1.2 available as source 
for *nix, an All-in-One Windows installer.

This is the first release of V1.2, some minor things may still change.
Documentation on http://www.moltalk.org has been updated.


What changed:

* we take care of the chemical element name in PDB format, both read and 
written
  The method -type in Atom has just disappeared and is replaced
  by -element and -elementName. 

* we take care of the partial charge of atoms in PDB format, both read and 
written
  New is the method -charge in Atom to read the partial charge of an atom.
  It can also be set by method -setCharge: .

* calling getSequence (or get3DSequence) in class Chain has side-effect 
off setting the field seqnum in each Residue. The new method 
-sequenceNumber in Residue gives access to this numbering.

* all static variables have been moved to their classes. As such we try to 
become thread safe really soon.

* some bugs cleared

* better support on Windows



What will change:

* speed improvements in StepTalk will make scripting with MolTalk even 
more interesting.

* started to implement a CORBA interface, called MolORB, that allows 
access to objects in MolTalk from other systems, languages, your program.



Happy MolTalking!!


Alex.