-
I haven't looked deep into the codebase yet, but from what I can gather you use `pdb2pqr` to calculate the electrostatics of a system that you can then use for display & creation of field lines etc.
…
-
백준 1032번 : 명령 프롬프트
문제
시작 -> 실행 -> cmd를 쳐보자. 검정 화면이 눈에 보인다. 여기서 dir이라고 치면 그 디렉토리에 있는 서브디렉토리와 파일이 모두 나온다. 이때 원하는 파일을 찾으려면 다음과 같이 하면 된다.
dir *.exe라고 치면 확장자가 exe인 파일이 다 나온다. "dir 패턴"과 같이 치면 그 패턴에…
-
I am getting the following error when trying to assign protonation states to PDB 3ptg along with the ligand. Am I doing something wrong or is this just a limitation of the program?
`INFO:PDB2PQR v3…
-
Hello,
Je viens vers vous avec une question qui est assez cruciale dans l'algorithme...
Ligne 102 on a un DECODE(l_six_voe, 1, six_voeu_L1(c.g_cn_cod, g_aa_cod_bac_int, g_cn_flg_int_aca, o_g_tg_cod)…
-
**Type of issue**: bug report
**Impact**: API modification
**Development Phase**: request
**Other information**
**If the current behavior is a bug, please provide the …
-
This is an enhancement thought for the future usability of our repo. We could move all user-defined input and output names (strings) and eventual model parameter values to a config file that is read i…
-
Hello,
I don't know if this page is monitored anymore, but the mailing list seems to be sparingly used at this point. It seems that flagging the mg-type has no effect in the precompiled binaries, …
-
Since bots never spawn with gasmasks , atleast ive never seen it. and since they dont have filters i assume if they did; all bots choke to death if you have realism on. on a lot of areas. including th…
-
I have 2 Services:
Service A: 30 minutes duration
Service B: 60 minutes duration
I have 2 people on the team:
Person A: Works Monday, Wednesday and Friday
Person B: Works Tuesday and Thursday
…
-
[Paissoni, C., D. Spiliotopoulos, G. Musco, and A. Spitaleri. “GMXPBSA 2.0: A GROMACS Tool to Perform MM/PBSA and Computational Alanine Scanning.” *Computer Physics Communications* 185, no. 11 (2014):…
cramg updated
3 years ago