Re: [Blueobelisk-discuss] Project for protein-ligand modeling software

2007-09-17 Thread Rajarshi Guha
On Sep 17, 2007, at 3:34 AM, Jerome Pansanel wrote: > Hello, > > Many chemistry software used for drug discory have an Open Source > alternative, > but tools for protein-ligand interaction modeling not. What type of tasks are you considering? If it's docking, there's Autodock and Dock (OSS?)

Re: [Blueobelisk-discuss] Project for protein-ligand modeling software

2007-09-17 Thread Sulev Sild
Hello! On Sep 17, Jerome Pansanel wrote: > Many chemistry software used for drug discory have an Open Source > alternative, > but tools for protein-ligand interaction modeling not. > > It would be really interesting to develop such software, that could run with > a > front-end or as batch on

[Blueobelisk-discuss] Project for protein-ligand modeling software

2007-09-17 Thread Jerome Pansanel
Hello, Many chemistry software used for drug discory have an Open Source alternative, but tools for protein-ligand interaction modeling not. It would be really interesting to develop such software, that could run with a front-end or as batch on a grid. Members of Alchem and BlueObelisk have man