??? ???????????? ?????????? ? ???????????? ?? ??? ??????????? PyMOL ? ???
??????? ??? ????:
????????? ??: http://erg.biophys.msu.ru/~piton/ntgen.py
???????????? ?????????? ???: http://erg.biophys.msu.ru/~piton/nmgen.py

??????? ????? ??????? ? ????????? ?? PyMOL. ????????:
$ wget http://erg.biophys.msu.ru/~piton/ntgen.py
$ pymol
PyMOL> run ./ntgen.py

?? ????? ??????? PyMOL ? ??????????????? ??????? ? ????????? ???????????.

???????? ??????????:
PyMOL> ntgen nanotube, N, M, L, save=nanotube

nanotube66 — ??? ?????? ??????? (??????????) ??????? ????? ??????
N, M — ????? ????? ???????? ???????? ?????????? ??? ?????????? ?
???????????????????? ???? ???????. ???????? ?????? 6,0; 6,6 ? ?????? 6,3.
L — ????? ?????, ???????? ????? ??. ?????? ???? ?????? N, ????? ???? ??
??? ??????.
save=nanotube — ???????????? ????????, ???????? ? ???????? ??????
nanotube.gro ? nanotub?.itp, ?????? ??? ????????????? ? ??????? GROMACS.

???????????? ?????????? ???:

????????? ????????? ? ??????????? (???????? ?? ?? gro ??? ?????? editconf):
PyMOL> load nanotube.pdb, nanotube

???????????? ?????????? ?????????:
PyMOL> nmgen nanotube, ID, mtx=nanotube.mtx, amp=5.0

nanotube — ??? ???????
ID — ????? ??????????? ????????? (??? ?????? ??????? ????? )
nanotube.mtx — ??? MTX ????? ? ???????? ?????. ?????? ???? Double Precision.
amp=5.0 — ?????? ????????? ???????????????? ????????? (5 ????????).

? ?????????? ????? ?????? ?????? nanotube-nm_ID, ???? ??????
???????????????? ????????? ? 20 ???????. ????? ????????? ????????:
PyMOL> set movie_loop, 1
PyMOL> set movie_fps, 15
PyMOL> mplay

?????????? ????????:
PyMOL> mstop
?????????? ?????????