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Hi and apologies in advance for this question which has been addressed a few times in the Issues. I have the template matcher telling me my bonds are not lining up:
`No template found for residue 5…
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On my Acer Aspire One ZG5 (2008) netbook with 32-bit single-core dual-thread Intel Atom N270 CPU (1,6 GHz), 1,5 GB of RAM, Intel GMA 950 integrated graphics and Windows Server 2003 Standard SP2 (x86),…
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I am trying to build a geometry for which I would like to have zero orbitals associated to certain atoms. Can it be done?
As far as I can see, I get at least one orbital associated to an atom:
```py…
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## Feature request:
When a user adds a ibc trace, compare the value from:
"base": "ibc/27394FB092D2ECCD56123C74F36E4C1F926001CEADA9CA97EA622B25F41E5EB2",
with the one provided at chain path
Ex…
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Hi,
With some molecules I get (Unimol Docking V2):
/media/christian/VS1/VS/Results_Unimol/MC4R_protein/Poses/Sublibrary_05/CHEMBL-3740791-1.sdf-Cc1ccnc(N(CCC(=O)[O-])C(=O)c2ccc3c(c2)nc(CNc2ccc(C…
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Before switching to the isoelectronic model, the following code worked:
```python3
mb = """
SMMXDraw08051113052D
0 0 0 0 0 999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 8 8 0…
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**Github username:** --
**Twitter username:** --
**Submission hash (on-chain):** 0x301f2aa465bc5205e1d38f7d64769bc92a3ca07464f32503718d3f282577bbfd
**Severity:** high
**Description:**
**Description*…
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Hello,
I'm trying to set up a virtual screening campaign and for that i'm preparing my ligand on the correct format pdqt.
I convert my ligand from sdf to pdb, I then add hydrogen and 3d coordinat…
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### The problem
I've updated my M5 Atom Echo to the latest firmware in order to use Openwakeword which was added with year of voice chapter 4. It works one or two times. Then the device chrashes some…
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Hello,
I have an issue with converting the data files into vtk files.
The conversion is resolved sucessfully but the resulting file has most of it data being set to the same values.
After further s…
ViK0s updated
2 months ago