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Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation
http://www.poissonboltzmann.org/
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Why are ``srfm``, ``srad``, etc. included in ``bem-manual`` input files when the surface type is determined by the mesh? #483

Closed sobolevnrm closed 7 years ago

lwwilson1 commented 7 years ago

srad is used by TABI-PB as the probe radius parameter that's fed into MSMS or NanoShaper when either one is called to build a surface. sfrm and swin, however, are not used; I can remove these.

sobolevnrm commented 7 years ago

Can you please update the code/documentation accordingly?

Thanks!

On Tue, Jul 4, 2017 at 7:45 PM Leighton W. Wilson notifications@github.com wrote:

srad is used by TABI-PB as the probe radius parameter that's fed into MSMS or NanoShaper when either one is called to build a surface. sfrm and swin, however, are not used; I can remove these.

— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/Electrostatics/apbs-pdb2pqr/issues/483#issuecomment-312983456, or mute the thread https://github.com/notifications/unsubscribe-auth/AB1_2EDCAFUwJKGEO7Ntd6VyR9GmzPRYks5sKvi2gaJpZM4ONyzq .

lwwilson1 commented 7 years ago

Will do