(Re) Setting up a Free Molecular Modelling Workstation
Four years ago, I sent an e-mail to the Computational Chemistry List (CCL) asking for preferably FREE or reasonably priced software under Linux or Windows to set up a molecular modelling project within a "wetlab" research group.
I was going to work with ligand-protein complexes and I needed manipulation software, doking and molecular mechanics (geometry optimization and molecular dynamics) software.
At that moment, I did not know from where to start. Now, I have got some research results and hope to publish a paper as sooner as possible, meanwhile I'll post some tips on my path to set up a molecular modelling workstation with limited resources.
I was going to work with ligand-protein complexes and I needed manipulation software, doking and molecular mechanics (geometry optimization and molecular dynamics) software.
At that moment, I did not know from where to start. Now, I have got some research results and hope to publish a paper as sooner as possible, meanwhile I'll post some tips on my path to set up a molecular modelling workstation with limited resources.
Labels: free software, molecular modelling, workstation


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