https://salilab.org/imp/bugs/show_bug.cgi?id=114
Summary: Use directions from higher up in the tree when doing
EV on rigid bodies
Product: IMP
Version: unspecified
Platform: PC
OS/Version: Linux
Status: NEW
Severity: enhancement
Priority: P5
Component: core
AssignedTo: drussel(a)SALILAB.ORG
ReportedBy: drussel(a)SALILAB.ORG
CC: imp-dev(a)salilab.org
Estimated Hours: 0.0
Don't use a harmonic on them at all.
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Needed for converting external transformations ( as those from gamb ) to imp
Daniel Russel <drussel(a)gmail.com> wrote:
>Javi proposed getting rid of the get_fixed_[xyz]*_from_rotation() functions as they are unlikely to be used by anyone and potentially confusing. Anyone using them or planning on using them?
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Javi proposed getting rid of the get_fixed_[xyz]*_from_rotation() functions as they are unlikely to be used by anyone and potentially confusing. Anyone using them or planning on using them?
https://salilab.org/imp/bugs/show_bug.cgi?id=113
Summary: ExcludedVolumeRestraint with one particle
Product: IMP
Version: unspecified
Platform: PC
OS/Version: Linux
Status: NEW
Severity: enhancement
Priority: P5
Component: core
AssignedTo: drussel(a)SALILAB.ORG
ReportedBy: drussel(a)SALILAB.ORG
CC: imp-dev(a)salilab.org
Estimated Hours: 0.0
Provide a warning if only a single particle or rigid body is passed to the EVR.
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https://salilab.org/imp/bugs/show_bug.cgi?id=107
Summary: TextInput reports mismatched arguments rather than
failure to open file
Product: IMP
Version: unspecified
Platform: All
OS/Version: All
Status: NEW
Severity: minor
Priority: P5
Component: kernel
AssignedTo: drussel(a)SALILAB.ORG
ReportedBy: drussel(a)SALILAB.ORG
CC: imp-dev(a)salilab.org
Estimated Hours: 0.0
Swig eats the I/O exception and reports it as an argument mismatch.
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https://salilab.org/imp/bugs/show_bug.cgi?id=110
Summary: Add periodic boundary conditions
Product: IMP
Version: unspecified
Platform: All
OS/Version: All
Status: NEW
Severity: enhancement
Priority: P5
Component: core
AssignedTo: drussel(a)SALILAB.ORG
ReportedBy: drussel(a)SALILAB.ORG
CC: imp-dev(a)salilab.org
Estimated Hours: 0.0
Initially just have a special purpose close pairs restraint and a class to wrap
things at the boundary.
See if bounding box sweep can work with circular boundary? Seems unlikely. Grid
might be best.
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https://salilab.org/imp/bugs/show_bug.cgi?id=108
Summary: NetCDF I/O
Product: IMP
Version: unspecified
Platform: All
OS/Version: All
Status: NEW
Severity: enhancement
Priority: P5
Component: kernel
AssignedTo: drussel(a)SALILAB.ORG
ReportedBy: drussel(a)SALILAB.ORG
CC: imp-dev(a)salilab.org
Estimated Hours: 0.0
It would be nice to have a write_model_binary/read_model_binary using NetCDF to
go along with the current text versions. There is a standard for writing series
of molecule structures to a file, but it would be also good, for maximimal
compactness to have an option to just write optimized attributes.
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