Table 1.

Comparison of time efficiency (in seconds) for surface generation in Cartesian meshes by the PDE transform and the MSMS approach

				h = 0.25 Å		h = 0.5 Å		h = 0.75 Å		h = 1.0 Å
PDB ID	Na	Method	Ts	Tc	Ttot	Tc	Ttot	Tc	Ttot	Tc	Ttot
1ajj	519	PDE transform MSMS	0.41	6.50	6.52 6.91	2.74	0.49 3.15	2.70	0.21 3.11	2.65	0.10 3.06
1bor	832	PDE transform MSMS	0.56	8.54	9.52 9.1	4.02	0.67 4.58	3.41	0.23 3.97	3.42	0.11 3.98
1neq	1187	PDE transform MSMS	0.91	12.13	16.29 13.04	6.15	1.51 7.06	5.95	0.34 6.86	5.81	0.14 6.72
1a63	2065	PDE transform MSMS	1.31	16.37	18.42 17.68	9.03	2.21 10.34	8.23	0.47 9.54	8.4	0.22 9.71
1a7m	2809	PDE transform MSMS	1.73	20.36	24.45 22.09	9.83	2.72 11.56	8.99	0.60 10.72	9.14	0.31 10.87
1beb	4972	PDE transform MSMS	2.38	30.1	36.57 32.48	18.44	5.12 20.82	16.34	1.04 18.72	15.92	0.58 18.3
1vng	8808	PDE transform MSMS	5.69	46.6	55.29 52.29	27.15	7.26 32.84	24.71	2.24 30.4	22.19	0.96 27.88
1a8r	52425	PDE transform MSMS	10.19	NA	976.86 NA	NA	132.87 NA	NA	36.29 NA	NA	14.62 NA
1h2i	64460	PDE transform MSMS	19.36*	NA	646.99 NA	NA	91.91 NA	NA	30.66 NA	NA	10.1 NA
1gtp	69980	PDE transform MSMS	22.47†	NA	527.56 NA	NA	64.21 NA	NA	19.73 NA	NA	11.79 NA

^*Surface generated at density 1.454.

^†Surface generated at density 1.546.