Re: [ccp4bb] Calculating vertical offset of helices

2007-08-06 Thread Eleanor Dodson
Jie Liu wrote: Dear CCP4ers: Does anyone know an existing program to calculate the lateral displacement---the vertical offset, measured as a fraction of the the heptad repeat---of neighboring helices in coiled coils or helix bundles, either parallel or antiparallel? Your input is greatly

Re: [ccp4bb] Calculating vertical offset of helices

2007-08-06 Thread Edward Berry
Since Jie Liu is talking about coiled coils and heptad repeat, I think what may be needed is the displacement along the bundle axis. So an expression for the best bundle axis line, and then the projection of different C-a's onto that line to measure the difference between them? Ed Eleanor Dodson

Re: [ccp4bb] Calculating vertical offset of helices

2007-08-06 Thread Jie Liu
Dear Ed, Eleanor, Pratap and CCP4ers Thank you all for the replies. In Jane S. Richardson's Alacoil paper (Protein Science, 1995, 4:2252-2260), they defined the vertical offset as follows: choosing the Ca of the a heptad position on one helix as the reference zero level and position a+7 as level

[ccp4bb] Calculating vertical offset of helices

2007-08-03 Thread Jie Liu
Dear CCP4ers: Does anyone know an existing program to calculate the lateral displacement---the vertical offset, measured as a fraction of the the heptad repeat---of neighboring helices in coiled coils or helix bundles, either parallel or antiparallel? Your input is greatly appreciated. Have a