I'm very sorry. I'm just a beginner. I have a question . I tried to download
license.but failed to download it. The alert says " Please confirm whetherthe
file is correct?" How can I download the license? Please tell me.
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Hi Pedro,
Try these two changes:
# shape - 1
xinc, yinc, zinc = (
abs(xmax - xmin) / (field.shape[0] - 1),
abs(ymax - ymin) / (field.shape[1] - 1),
abs(zmax - zmin) / (field.shape[2] - 1),
)
# position rounding by +0.5
idx = (
int((at.coord[0] - xmin) / xinc +
Hi Pedro,
chempy.Atom doesn't store model and state. The only option I can think of right
now is to use a custom property (Incentive PyMOL feature, won't work in
Open-Source PyMOL):
cmd.alter('all', 'p.model = model')
print(cmd.get_model('all').atom[0].atom_properties['model'])
Or
I'm afraid that it isn't the correct answer because I got IndexError (out
of bonds), I fixed by subtracting 1 after rounding.
Anyway these modifications get off-by-1 errors in a high resolution grid,
but the real error is the misalignment between atoms positions and volume
densities.
Em seg.,
Thank you, Thomas!
Em seg., 9 de nov. de 2020 às 06:29, Thomas Holder <
thomas.hol...@schrodinger.com> escreveu:
> Hi Pedro,
>
> chempy.Atom doesn't store model and state. The only option I can think of
> right now is to use a custom property (Incentive PyMOL feature, won't work
> in Open-Source
