Pinned issues
Issues
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POVME doesn't work with smal GridSpacings and large radii: numpy.core._exceptions._ArrayMemoryError
#51 opened by thalesdovm - 2
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- 2
How to choose the center of inclusion sphere?
#49 opened by TianmingQu - 6
Update POVME3 to Python3
#33 opened by Seanny123 - 1
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Make workflow work with ~10 frames from trajectory to show example before running for real
#21 opened by j-wags - 0
Change analyzeclustermembershipingroups to show frames starting at 1 instead of 0
#23 opened by j-wags - 0
Change inclusion cylinder to be defined as (base1x, b1y, b1z, b2x, b2y, b2z, radius)
#22 opened by j-wags - 0
Make clustering include outputs like g_cluster
#25 opened by j-wags - 0
Surface area varies a lot when I change grid resolution, even though volume stays about the same
#18 opened by j-wags - 0
Feature color normalization causes intensities to stack up at the edge of the box
#19 opened by j-wags - 0
Take care of numpy warning once and for all
#20 opened by j-wags - 0
Make POVME work with DNA pockets
#15 opened by j-wags - 0
When loading an inclusion/seed region ensure that new points are snapped to a grid of appropriate resolution
#16 opened by j-wags - 0
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Make .vmdrc file creator
#7 opened by j-wags - 0
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Does POVME handle crystal waters?
#13 opened by j-wags - 1
- 3
Error on using POVME3
#43 opened by TianmingQu - 3
analyzeClusterMembershipInGroups had segfault
#24 opened by j-wags - 0
Does POVME work for RNA?
#37 opened by j-wags - 1
IndexError in coords_CG = self.receptor.information.get_coordinates()[this_phe_CG][0]
#41 opened by j-wags - 1
Error in analysis workflow example
#44 opened by computational-chemist - 1
- 1
ValueError: zero-size array to reduction operation minimum which has no identity
#46 opened by sunidhibhatt - 3
ValueError in one out of three simulation trial
#40 opened by hengi110 - 1
povme installation error
#47 opened by DDGmichigan - 2
POVME_pocket_id.py error ( index 0 is out of bounds for axis 0 with size 0)
#29 opened by MBenabderrahmane - 1
Get volume and poc
#32 opened by pgbarletta - 4
pocket-Volume output changes significantly while using single frame vs Multiple frames
#36 opened by elvismartis - 0
Finish POVME tutorial
#9 opened by j-wags - 0
Merge in j-wags/POVME
#10 opened by j-wags - 2
README.md basic example visualization issue
#30 opened by Petr-A