Re: [Jmol-users] Mutating Residues!

2013-08-08 Thread Amjad Farooq
Angel, Thank you for your suggestions. I will look into them and see if it works for me. But, ideally I would like a script that can be used to mutate any given residue on-the-fly in response to a command such as: > mutate LYS63 ALA Amjad On Thu, Aug 8, 2013 at 1:36 PM, Angel Herráez wrote:

Re: [Jmol-users] Mutating Residues!

2013-08-08 Thread Angel Herráez
Hi Amjad I've heard that question several times and I always reply "it cannot be done in Jmol, you need a modelling software". This is really tricky. I mean, the result is hardly reliable. But I see your point. I haven't seen what PDBViewer does for that. I would say this is a reasonable way t

Re: [Jmol-users] Mutating Residues!

2013-08-08 Thread Amjad Farooq
Hi Jeff, Thanks for your response. I fully agree--ideally one needs an NMR or x-ray structure to compare structural changes in wildtype versus mutant protein. However, it is sometimes useful to mutate a residue on-the-fly to demonstrate to novices how such a mutation might create a lethal cavity

Re: [Jmol-users] Mutating Residues!

2013-08-08 Thread Jeff Hansen
Compare how? Do you want to see how the mutation affects the structure? Really need and X-ray or NMR structure of each for that to have any real meaning. *** Jeff Hansen, Professor and Chair Department of Chemistry and Biochemistry DePauw University

Re: [Jmol-users] Mutating Residues!

2013-08-08 Thread Amjad Farooq
Hi guys, Is it possible to mutate an amino acid in JMol. For example, how can I introduce the K63A mutation (mutate lysine 63 to alanine) into my protein to compare wildtype versus mutant? What is the JMol command? Thanks! Amjad --

[Jmol-users] Mutating Residues!

2013-08-08 Thread Amjad Farooq
Hi guys, Is it possible to mutate an amino acid in JMol. For example, how can I introduce the K63A mutation (mutate lysine 63 to alanine) into my protein to compare wildtype versus mutant? What is the JMol command? Amjad --