ADCP

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Segmentation fault 11 error

3

I am following your tutorial, but with own molecules (a kinase and a 6 AA peptide) and it always returns "Segmentation fault 11". during the "agfr" command.

Habacef

Hi, I encountered a problem with the docking when a disulfide bond is present in the peptide. In many generated poses the bond is broken and the thiol groups are...

andregiuseppecavalli

ADCP error. The at is "NoneType" in clusterADCP.py line 182

5

[bowei@localhost tar1]$ adcp -t 012_48e65_relaxed_rank_1_model_4_h.trg -s npisdvd -N 2 -n 10 -o 012_48e65_relaxed_rank_1_model_4_h_dock -ref 012_48e65_relaxed_rank_1_model_4_h.pdb Detected 8 cores, using 8 cores copying the ramaprob.data file from /home/bowei/ADFRsuite-1.0/CCSBpckgs/ADCP/ramaprob.data to /mnt/work/tar/tar1 Performing...

snowline

Unknow errors when ADCP run in shell

2

I performed ADCP in shell script which aim to do some high throughput virtual screening. But i found that ADCP did not work in script. here is my input in...

mengskl

Hello ADCP developers. Thanks for sharing this program. I am wondering if it is possible to approximately simulate cyclization by crosslinkers by adapting the disulfide bond potential.  If I...

amin-sagar

Hi everyone, I was able to run my docking with no issue. However, there are missing atoms and broken residues in my results.  The residue selected on the image...

patochinestrad

[D:/D/vdw.c: line 469 `if (mod_params->ro > 0.0 && mod_params->ro > 0.0) `

maddin200

Issue with docking result .pdb file

1

I performed the re-docking tutorial that is provided in the [AutodockCP](https://ccsb.scripps.edu/adcp/tutorial-redocking/) website. When I load the **3Q47_redocking_ranked_1.pdb** file in AutodockTools to visualize it, the chain look broken. I also faced...

bariskalem

I am having trouble generating a target file using agfr from ADFR suite 1.0. I am using default parameters. ``` identifying pockets using AutoSite .... Traceback (most recent call last):...

ijhoskins

I have been using this tool for the last few days. I am confused about this part, where the tool internally builds a peptide based on sequence for docking (...

Kunal4774