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Bug 289651

Summary: VERSION BUMP sci-chemistry/talos+
Product: Gentoo Linux Reporter: Justin Lecher (RETIRED) <jlec>
Component: Current packagesAssignee: Justin Lecher (RETIRED) <jlec>
Status: RESOLVED FIXED    
Severity: enhancement CC: sci-chemistry
Priority: High Keywords: InOverlay
Version: unspecified   
Hardware: All   
OS: Linux   
URL: http://spin.niddk.nih.gov/bax/software/TALOS+/index.html
Whiteboard: sci overlay
Package list:
Runtime testing required: ---

Description Justin Lecher (RETIRED) gentoo-dev 2009-10-18 21:58:09 UTC
2009/09/30
veriosn 1.01(build 2009.1013.14)
Random coil chemical shifts of the protonated-His (h) are changed, according to the average difference of the SPARTA-predicted 
chemical shifts between H and h.

An additional external script "correctCACB_D_effect" to apply the deuteration effect correction for CA and CB chemical shifts 
is added.
Comment 1 Justin Lecher (RETIRED) gentoo-dev 2009-10-25 18:34:47 UTC
*talos+-1.2009.1013.14 (25 Oct 2009)

  25 Oct 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
  -talos+-1.2009.0721.18.ebuild, +talos+-1.2009.1013.14.ebuild:
  version bump
  fixes bug 289651