Re: [ccp4bb] Does anyone have used DelPhi to calculate the Electrostatic potentials of DNA ?

2012-07-11 Thread James Stroud
I think delphi doesn't need to know about connectivity, only the atom identities. So the distinction between DNA and protein should be irrelevant and thus the input files would be the same. If you just want to visualize the delphi EP, try this page:

Re: [ccp4bb] Does anyone have used DelPhi to calculate the Electrostatic potentials of DNA ?

2012-07-11 Thread Eleanor Dodson
On 11 Jul 2012, at 03:36, dengzq1987 don't understand the question really. What DELPHI do you mean? Many programs output DELPHI (refmac, SigmaA etc ) and they are usually used as input to a difference map using FFT Eleanor Hi all, recently,I want to use DelPhi to calculate the

Re: [ccp4bb] Does anyone have used DelPhi to calculate the Electrostatic potentials of DNA ?

2012-07-11 Thread Steiner, Roberto
Dear Eleanor I (capital!) believe the original poster means http://compbio.clemson.edu/delphi.php Best wishes Roberto On 11 Jul 2012, at 09:54, Eleanor Dodson wrote: On 11 Jul 2012, at 03:36, dengzq1987 don't understand the question really. What DELPHI do you mean? Many programs output

[ccp4bb] Does anyone have used DelPhi to calculate the Electrostatic potentials of DNA ?

2012-07-10 Thread dengzq1987
Hi all, recently,I want to use DelPhi to calculate the Electrostatic potentials of DNA.but in the manual,i can not find the method to create the inputfile fort.11 、fort.12 and fort.13.Does anyone have experience on this? Please suggest Thank you in advance Sincerely dengzq

Re: [ccp4bb] Does anyone have used DelPhi to calculate the Electrostatic potentials of DNA ?

2012-07-10 Thread Francois Berenger
On 07/11/2012 11:36 AM, dengzq1987 wrote: Hi all, recently,I want to use DelPhi to calculate the Electrostatic potentials of DNA.but in the manual,i can not find the method to create the inputfile fort.11 、fort.12 and fort.13.Does anyone have experience on this? Please suggest Why not