Dear all, I have a simple question: does Delphi controller works under unix only or it is possible to work with it under Linux and/or Windows XP? Thanks a lot, Marco Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail: sette@uniroma2.it Tel.: +39-0672594424 Fax: +39-0672594328
On Mon, Dec 11, 2006 at 01:23:35PM +0100, sette@uniroma2.it wrote:
Dear all, I have a simple question: does Delphi controller works under unix only or it is possible to work with it under Linux and/or Windows XP?
It works fine under Linux. Unfortunately (?) I don't try to do much under Windows so I can't address that part...
Thanks a lot, Marco
Cheers, Kenward -- .'^~;,_ Dr. Kenward Vaughan `:,'~~~~~ Professor of Chemistry \;:/ Bakersfield College |,;| 1801 Panorama Drive / ', \ Bakersfield, CA 93305 / o O \ http://www2.bc.cc.ca.us/kvaughan (oOoOOoOo) ---========--- ???$$MM$$???
Hi Marco, I don't think DelphiController works on Windows. Looking at the Chimera code I did not see any changes that would make this work versus a few years ago. Here's my answer when you asked this same question a few years ago: http://www.cgl.ucsf.edu/pipermail/chimera-users/2003-July/000025.html We have been thinking recently about how to make electrostatics calculations in Chimera easier. Ideas include a simple Coulomb calculation, or using APBS which would be included in Chimera. It may be simple to make DelphiController work on Windows since the only obvious problem I saw was in the command used to invoke Delphi. That seems like a simple step to try before we include some other electrostatics calculation. Eric Pettersen is the one who is looking at electrostatics and maybe he can comment further. Tom
Hello, In the DelPhiController description where we said it only works on unix systems, I believe that includes all of the current Chimera platforms (including Linux, Mac OS X, IRIX, etc.) *except* Windows. As Dr. Vaughn said, it should work on your linux system. (As an aside, although DelPhi is distributed for Mac, we have not been able to get the Mac version working; there were several chimera- users messages about this in November.) Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Dec 11, 2006, at 4:23 AM, sette@uniroma2.it wrote:
Dear all, I have a simple question: does Delphi controller works under unix only or it is possible to work with it under Linux and/or Windows XP?
Thanks a lot, Marco
Dr.Marco Sette, Ph.D.
Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail: sette@uniroma2.it Tel.: +39-0672594424 Fax: +39-0672594328
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On Dec 11, 2006, at 10:00 AM, Thomas Goddard wrote:
We have been thinking recently about how to make electrostatics calculations in Chimera easier. Ideas include a simple Coulomb calculation, or using APBS which would be included in Chimera.
I am evaluating the speed of a simple Coulombic calculation vs. Poisson-Boltzmann for interactive use. If the PB calculation always takes many minutes for reasonable results then I would probably make the Coulombic calculation available "directly" (i.e. the results made available in that same session as a volume data set or a surface coloring) but allow the PB input (i.e. a PQR file for APBS) to be easily created. Adding these features has become feasible now that Chimera includes charge-assignment capabilities. I'm open to opinions/suggestions about what people would like to see in this regard.
It may be simple to make DelphiController work on Windows since the only obvious problem I saw was in the command used to invoke Delphi. That seems like a simple step to try before we include some other electrostatics calculation. Eric Pettersen is the one who is looking at electrostatics and maybe he can comment further.
Conrad is investigating getting Delphi to work on Windows and will be following up. --Eric Eric Pettersen UCSF Computer Graphics Lab pett@cgl.ucsf.edu http://www.cgl.ucsf.edu
participants (5)
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Elaine Meng -
Eric Pettersen -
Kenward Vaughan -
sette＠uniroma2.it -
Thomas Goddard