SanFran-Me

> Did you resolve this? I also have this problem I have met this, too

Sorry to bother but I might have encountered error when using the Dockerfile in `docker/compat` to build a new image in my CentOS system. I download the Dockerfile in a...

I find pymol might turn ASP into VAL or ALA using this code, but I set as ASP→LEU, why?

I saw the source code od RFScore: ``` def load(self, filename=None, version=1, pdbbind_version=2016): if filename is None: fname = 'RFScore_v%i_pdbbind%i.pickle' % (version, pdbbind_version) ``` BUT I did not find any...

I heard that obabel has some trouble when converting pdb into pdbqt. So I suggest you not use openbabel to convert them into PDBQT

 Hi, I want to know why there is only `make -j8 gnina`, without `make install`? Does `make gnina` contains `install` process in its code?

Sorry I met error when run make install after make gnina... bash-4.2# make install [ 1%] Built target caffeproto [ 1%] Built target libmolgrid [ 40%] Built target caffe [...

Dear developer, I am new to Docker, and I am a user in CentOS7 server without root permission. I find your link of Dockerfiles is prepared for Ubuntu so I...

In my opinion, the Dockerfile is to be used this way to build a compatible docker image: `docker build -t .` And then you can run a new container with...

Dear Professor, @dkoes I trained `crossdock_default2018` on PDBbind2018_refined-set, hoping it will be more powerful. Actually it indeed perform better scoring CASF-2016, but when I use the result caffemodel to redock...